n-(3-Chlorophenyl)-4-methylbenzenesulfonamide
PubChem CID
266826
Structure
Molecular Formula
Synonyms
- n-(3-chlorophenyl)-4-methylbenzenesulfonamide
- 19377-04-9
- DTXSID60295814
- N-(3-chlorophenyl)-4-methylbenzene-1-sulfonamide
- N-(3-Chlorophenyl)-4-MethylbenzenesulfonaMide, 97per cent
Molecular Weight
281.76 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-25
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
N-(3-chlorophenyl)-4-methylbenzenesulfonamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C13H12ClNO2S/c1-10-5-7-13(8-6-10)18(16,17)15-12-4-2-3-11(14)9-12/h2-9,15H,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SWWNOFCZFSEIDE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H12ClNO2S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
19377-04-9
- n-(3-chlorophenyl)-4-methylbenzenesulfonamide
- 19377-04-9
- DTXSID60295814
- N-(3-chlorophenyl)-4-methylbenzene-1-sulfonamide
- N-(3-Chlorophenyl)-4-MethylbenzenesulfonaMide, 97per cent
- Benzenesulfonamide, N-(3-chlorophenyl)-4-methyl-
- MFCD00592523
- NSC105628
- NCIOpen2_007359
- SCHEMBL14937571
- DTXCID10246952
- STK899557
- AKOS001596311
- NSC-105628
- SB82211
- SDCCGSBI-0660634.P001
- DS-006968
- CS-0328413
- D84618
- AE-641/02607024
- SR-01000404599
- SR-01000404599-1
- N-(3-Chlorophenyl)-4-MethylbenzenesulfonaMide, 97%
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
281.76 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
3.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
281.0277275 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
281.0277275 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
54.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
358
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- The Cambridge Structural Database
- 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-(3-chlorophenyl)-4-methylbenzenesulfonamidehttps://comptox.epa.gov/dashboard/DTXSID60295814
- Japan Chemical Substance Dictionary (Nikkaji)
- 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-(3-chlorophenyl)-4-methylbenzenesulfonamidehttps://www.wikidata.org/wiki/Q82035980
- PubChem
CONTENTS