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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6ClNO3S.ClH
Molecular Weight 244.096
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-5-chlorobenzenesulfonic acid hydrochloride

SMILES

Cl.NC1=CC=C(Cl)C=C1S(O)(=O)=O

InChI

InChIKey=IWCXIYLZXKUELJ-UHFFFAOYSA-N
InChI=1S/C6H6ClNO3S.ClH/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,8H2,(H,9,10,11);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H6ClNO3S
Molecular Weight 207.635
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 Wed Apr 02 19:24:17 GMT 2025
Edited
by admin
on Wed Apr 02 19:24:17 GMT 2025
Record UNII
YNU9TUS7W6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 2-amino-5-chloro-, hydrochloride
Preferred Name English
2-Amino-5-chlorobenzenesulfonic acid hydrochloride
Systematic Name English
Benzenesulfonic acid, 2-amino-5-chloro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
2368872-22-2
Created by admin on Wed Apr 02 19:24:17 GMT 2025 , Edited by admin on Wed Apr 02 19:24:17 GMT 2025
PRIMARY
PUBCHEM
139034539
Created by admin on Wed Apr 02 19:24:17 GMT 2025 , Edited by admin on Wed Apr 02 19:24:17 GMT 2025
PRIMARY
FDA UNII
YNU9TUS7W6
Created by admin on Wed Apr 02 19:24:17 GMT 2025 , Edited by admin on Wed Apr 02 19:24:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE