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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10ClNO5S
Molecular Weight 339.751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Chloro-3-sulfamoylbenzoyl)benzoic acid

SMILES

NS(=O)(=O)C1=C(Cl)C=CC(=C1)C(=O)C2=C(C=CC=C2)C(O)=O

InChI

InChIKey=UKRADWWBRBBJLZ-UHFFFAOYSA-N
InChI=1S/C14H10ClNO5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H2,16,20,21)

HIDE SMILES / InChI

Molecular Formula C14H10ClNO5S
Molecular Weight 339.751
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:40 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:40 GMT 2025
Record UNII
8BC301DXU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Chloro-3-sulfamoylbenzoyl)benzoic acid
Systematic Name English
CHLORTALIDONE IMPURITY B [EP IMPURITY]
Preferred Name English
CHLORTHALIDONE RELATED COMPOUND A [USP-RS]
Common Name English
BENZOIC ACID, 2-(3-(AMINOSULFONYL)-4-CHLOROBENZOYL)-
Systematic Name English
BENZOIC ACID, O-(4-CHLORO-3-SULFAMOYLBENZOYL)-
Systematic Name English
4'-CHLORO-3'-SULFAMOYL-2-BENZOPHENONE CARBOXYLIC ACID
Systematic Name English
2-(3-(AMINOSULFONYL)-4-CHLOROBENZOYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
5270-74-6
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
RS_ITEM_NUM
1119309
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
FDA UNII
8BC301DXU3
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
PUBCHEM
78924
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID00200669
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-089-8
Created by admin on Tue Apr 01 16:23:40 GMT 2025 , Edited by admin on Tue Apr 01 16:23:40 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY