U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11ClN2O4S
Molecular Weight 326.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-N-phenyl-

SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(Cl)C(=C2)[N+]([O-])=O

InChI

InChIKey=ZRESUPFQMJFEHM-UHFFFAOYSA-N
InChI=1S/C13H11ClN2O4S/c1-15(10-5-3-2-4-6-10)21(19,20)11-7-8-12(14)13(9-11)16(17)18/h2-9H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Chloro-N-methyl-3-nitro-N-phenylbenzenesulfonamide
Preferred Name English
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-N-phenyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
80850
Created by admin on Tue Apr 01 19:11:40 GMT 2025 , Edited by admin on Tue Apr 01 19:11:40 GMT 2025
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CAS
6409-51-4
Created by admin on Tue Apr 01 19:11:40 GMT 2025 , Edited by admin on Tue Apr 01 19:11:40 GMT 2025
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ECHA (EC/EINECS)
229-083-3
Created by admin on Tue Apr 01 19:11:40 GMT 2025 , Edited by admin on Tue Apr 01 19:11:40 GMT 2025
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EPA CompTox
DTXSID6064325
Created by admin on Tue Apr 01 19:11:40 GMT 2025 , Edited by admin on Tue Apr 01 19:11:40 GMT 2025
PRIMARY
FDA UNII
S5BJ2SB97C
Created by admin on Tue Apr 01 19:11:40 GMT 2025 , Edited by admin on Tue Apr 01 19:11:40 GMT 2025
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