Benzenesulfonic acid, 4-amino-3-chloro-5-methyl-

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8ClNO3S
Molecular Weight	221.661
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzenesulfonic acid, 4-amino-3-chloro-5-methyl-

Structure Search

SMILES

CC1=C(N)C(Cl)=CC(=C1)S(O)(=O)=O

InChI

InChIKey=DTQVHBIQMCFTSZ-UHFFFAOYSA-N

InChI=1S/C7H8ClNO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H8ClNO3S
Molecular Weight	221.661
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 19:22:24 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:24 GMT 2025`
Record UNII	MNG43H7SAM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-60122

Preferred Name

English

Benzenesulfonic acid, 4-amino-3-chloro-5-methyl-

Systematic Name

English

4-Amino-3-chloro-5-methylbenzenesulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

6387-14-0

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY

ECHA (EC/EINECS)

228-989-6

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY

NSC

60122

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY

FDA UNII

MNG43H7SAM

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY

EPA CompTox

DTXSID8064303

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY

PUBCHEM

80802

Created by admin on Tue Apr 01 19:22:24 GMT 2025 , Edited by admin on Tue Apr 01 19:22:24 GMT 2025

PRIMARY