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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO4S
Molecular Weight 277.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(PHENYLSULFAMOYL)BENZOIC ACID

SMILES

OC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2

InChI

InChIKey=YNRKZIPFWSDERE-UHFFFAOYSA-N
InChI=1S/C13H11NO4S/c15-13(16)10-5-4-8-12(9-10)19(17,18)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H11NO4S
Molecular Weight 277.296
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 Thu Jul 06 23:48:24 UTC 2023
Edited
by admin
on Thu Jul 06 23:48:24 UTC 2023
Record UNII
RA8T70956T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(PHENYLSULFAMOYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, M-(PHENYLSULFAMOYL)-
Common Name English
TP201859
Code English
BENZOIC ACID, 3-((PHENYLAMINO)SULFONYL)-
Systematic Name English
3-ASBA
Common Name English
TP-201859
Code English
Code System Code Type Description
EPA CompTox
DTXSID301303214
Created by admin on Thu Jul 06 23:48:24 UTC 2023 , Edited by admin on Thu Jul 06 23:48:24 UTC 2023
PRIMARY
CAS
1576-45-0
Created by admin on Thu Jul 06 23:48:24 UTC 2023 , Edited by admin on Thu Jul 06 23:48:24 UTC 2023
PRIMARY
PUBCHEM
759339
Created by admin on Thu Jul 06 23:48:24 UTC 2023 , Edited by admin on Thu Jul 06 23:48:24 UTC 2023
PRIMARY
FDA UNII
RA8T70956T
Created by admin on Thu Jul 06 23:48:24 UTC 2023 , Edited by admin on Thu Jul 06 23:48:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA; URINE