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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N2O5S
Molecular Weight 246.24
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-ACETAMIDO-3-AMINO-2-HYDROXYBENZENESULFONIC ACID

SMILES

CC(=O)NC1=CC(N)=C(O)C(=C1)S(O)(=O)=O

InChI

InChIKey=FVELBSCPKVNJHA-UHFFFAOYSA-N
InChI=1S/C8H10N2O5S/c1-4(11)10-5-2-6(9)8(12)7(3-5)16(13,14)15/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C8H10N2O5S
Molecular Weight 246.24
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 19:23:21 GMT 2025
Edited
by admin
on Tue Apr 01 19:23:21 GMT 2025
Record UNII
N4TJ6Z68VH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-ACETAMIDO-3-AMINO-2-HYDROXYBENZENESULPHONIC ACID
Preferred Name English
5-ACETAMIDO-3-AMINO-2-HYDROXYBENZENESULFONIC ACID
Systematic Name English
BENZENESULPHONIC ACID, 5-(ACETYLAMINO)-3-AMINO-2-HYDROXY-
Systematic Name English
BENZENESULFONIC ACID, 5-(ACETYLAMINO)-3-AMINO-2-HYDROXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80218666
Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025
PRIMARY
PUBCHEM
81297
Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-952-7
Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025
PRIMARY
FDA UNII
N4TJ6Z68VH
Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025
PRIMARY
CAS
6856-14-0
Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025
PRIMARY