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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5-AMINOSULFONYLBENZOIC ACID

SMILES

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

InChI

InChIKey=LWDSANAOYPHQAW-UHFFFAOYSA-N
InChI=1S/C7H6ClNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)

HIDE SMILES / InChI

Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
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 Sat Dec 16 12:13:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:50 GMT 2023
Record UNII
Q3HMU86N2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-5-AMINOSULFONYLBENZOIC ACID
Systematic Name English
2-CHLORO-5-SULFAMOYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 5-(AMINOSULFONYL)-2-CHLORO-
Systematic Name English
2-CHLORO-5-SULPHAMOYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
202-554-0
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
FDA UNII
Q3HMU86N2T
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID2059144
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
PUBCHEM
66794
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
CAS
97-04-1
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY