N-((4-(Acetylamino)phenyl)sulphonyl)acetamide
PubChem CID
101240
Structure
Molecular Formula
Synonyms
- N,N'-Diacetylsulfanilamide
- 29591-86-4
- 5626-90-4
- N-[4-(acetylsulfamoyl)phenyl]acetamide
- N-((4-(Acetylamino)phenyl)sulphonyl)acetamide
Molecular Weight
256.28 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Description
N1,N4-Diacetylsulfanilamide is a sulfonamide.
Chemical Structure Depiction
N-[4-(acetylsulfamoyl)phenyl]acetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YTJJPFRVBNFIBN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H12N2O4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- N,N'-Diacetylsulfanilamide
- 29591-86-4
- 5626-90-4
- N-[4-(acetylsulfamoyl)phenyl]acetamide
- N-((4-(Acetylamino)phenyl)sulphonyl)acetamide
- N-((4-Acetamidophenyl)sulfonyl)acetamide
- N,NDIACETYLSULFANILAMIDE
- 8C2674GI56
- NSC-402278
- N-(4-acetamidobenzenesulfonyl)acetamide
- N-((4-(Acetylamino)phenyl)sulfonyl)acetamide
- Acetamide, N-[[4-(acetylamino)phenyl]sulfonyl]-
- N,N-Diacetylsulfanilamide
- ACETAMIDE, N-((4-(ACETYLAMINO)PHENYL)SULFONYL)-
- N1,N4-Diacetyl sulphanilamide
- EINECS 227-067-0
- MFCD00008678
- NSC402278
- CBMicro_014099
- Cambridge id 5215946
- N,N''-Diacetylsulfanilamide
- N1,N4-Diacetylsulfanilamide
- Oprea1_300212
- CHEMBL5422771
- SCHEMBL10992157
- UNII-8C2674GI56
- DTXSID10204810
- CHEBI:185808
- SMSF0004635
- AKOS001296661
- N-(4-acetamidophenylsulfonyl)acetamide
- N-[4-(acetylsulamoyl)phenyl]acetamide
- CB09446
- NSC 402278
- 4-acetylamino-N-acetylbenzenesulfonamide
- BIM-0014114.P001
- ACETANILIDE, 4'-(ACETYLSULFAMOYL)-
- CS-0212894
- D1773
- NS00033493
- N-{4-[(acetylamino)sulfonyl]phenyl}acetamide
- D89924
- N-(4-[(Acetylamino)sulfonyl]phenyl)acetamide #
- ACETAMIDE, N,N'-(P-PHENYLENESULFONYL)BIS-
- SR-01000198944
- SR-01000198944-1
- SULFACETAMIDE SODIUM IMPURITY C [EP IMPURITY]
- Z30794152
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.28 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-1.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
256.05177804 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
256.05177804 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
101 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
391
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
70243
Library
Main library
Total Peaks
72
m/z Top Peak
43
m/z 2nd Highest
109
m/z 3rd Highest
151
Thumbnail
NIST Number
236658
Library
Replicate library
Total Peaks
144
m/z Top Peak
43
m/z 2nd Highest
109
m/z 3rd Highest
151
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YTJJPFRVBNFIBN-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/N-[[4-(Acetylamino)phenyl]sulfonyl]acetamidehttps://commonchemistry.cas.org/detail?cas_rn=5626-90-4
- ChemIDplusN-((4-(Acetylamino)phenyl)sulfonyl)acetamidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0005626904ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxN-((4-(Acetylamino)phenyl)sulphonyl)acetamidehttps://comptox.epa.gov/dashboard/DTXSID10204810CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeN-[[4-(acetylamino)phenyl]sulphonyl]acetamidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.024.607
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingN-((4-(ACETYLAMINO)PHENYL)SULFONYL)ACETAMIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/8C2674GI56
- ChEBIN1,N4-Diacetylsulfanilamidehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:185808
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawN1,N4-Diacetyl sulphanilamidehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseAcetamide, N-[[4-(acetylamino)phenyl]sulfonyl]-https://spectrabase.com/spectrum/QtU0MwPicjN1,N4-DIACETYLSULFANILAMIDEhttps://spectrabase.com/spectrum/F0r2EF4WpTcN,N'-diacetylsulfanilamidehttps://spectrabase.com/spectrum/GzIcf5rK5HeN,N'-(p-phenylenesulfonyl)bisacetamidehttps://spectrabase.com/spectrum/Jsouo7XtxzzN,N'-diacetylsulfanilamidehttps://spectrabase.com/spectrum/ESfrOJBYPa6N^1,N^4-DIACETYLSULFANILAMIDEhttps://spectrabase.com/spectrum/IR84f7bWxx2N1,N4-diacetylsulfanilamidehttps://spectrabase.com/spectrum/HofXlVISFZSN,N'-diacetylsulfanilamidehttps://spectrabase.com/spectrum/65fpGiO1enTN,N'-diacetylsulfanilamidehttps://spectrabase.com/spectrum/DqwgolS08Iv
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataN-((4-(Acetylamino)phenyl)sulphonyl)acetamidehttps://www.wikidata.org/wiki/Q83078269
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388409856https://pubchem.ncbi.nlm.nih.gov/substance/388409856
CONTENTS