N(4)-Acetylsulfisoxazole
PubChem CID
160743
Structure
Molecular Formula
Synonyms
- N(4)-Acetylsulfisoxazole
- 4206-74-0
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
- N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
- CHEMBL725
Molecular Weight
309.34 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-04
Chemical Structure Depiction
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16-21(18,19)12-6-4-11(5-7-12)14-10(3)17/h4-7,16H,1-3H3,(H,14,17)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
UTVCPAPWORAKEV-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H15N3O4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
4206-74-0
80-74-0
N(4)-acetylsulfisoxazole
- N(4)-Acetylsulfisoxazole
- 4206-74-0
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
- N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
- CHEMBL725
- Oprea1_428841
- Oprea1_848478
- N4-ACETYL SULFISOXAZOLE
- SCHEMBL7857278
- DTXSID30194901
- UTVCPAPWORAKEV-UHFFFAOYSA-N
- HMS2093L11
- Pharmakon1600-01505461
- BDBM50034479
- NSC759138
- STL357465
- AKOS002262082
- CCG-213456
- SBI-0206809.P001
- NS00003238
- AB01563087_01
- SR-05000002018
- SR-05000002018-1
- BRD-K05009775-001-01-2
- N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)acetamide
- N-(p-(3,4-Dimethyl-5-isoxazolylaminosulfonyl)phenyl)acetamide
- N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-acetamide
- N-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)acetamide
- N-(4-([(3,4-Dimethyl-5-isoxazolyl)amino]sulfonyl)phenyl)acetamide #
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
309.34 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0.9
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
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
309.07832714 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
309.07832714 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
110 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
468
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
242241
Library
Main library
Total Peaks
242
m/z Top Peak
198
m/z 2nd Highest
43
m/z 3rd Highest
134
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 Parent, Exact 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=UTVCPAPWORAKEV-UHFFFAOYSA-N
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusN(4)-Acetylsulfisoxazolehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0004206740ChemIDplus 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)-Acetylsulfisoxazolehttps://comptox.epa.gov/dashboard/DTXSID30194901CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingN(4)-Acetylsulfisoxazolehttp://www.hmdb.ca/metabolites/HMDB0255283
- 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-lawN-(p-(3,4-Dimethyl-5-isoxazolylaminosulfonyl)phenyl)acetamidehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseAcetylsulfisoxazolehttps://spectrabase.com/spectrum/GGm1EFuG4qr
- 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/
- Wikidata
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlN(4)-acetylsulfisoxazolehttps://www.ncbi.nlm.nih.gov/mesh/67022966
- 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 396924462https://pubchem.ncbi.nlm.nih.gov/substance/396924462
CONTENTS