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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8ClF3N2O4S
Molecular Weight 332.684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulfamoylanthranilic acid

SMILES

NS(=O)(=O)C1=C(Cl)C=C(NCC(F)(F)F)C(=C1)C(O)=O

InChI

InChIKey=WSMGPMXMHGJUPZ-UHFFFAOYSA-N
InChI=1S/C9H8ClF3N2O4S/c10-5-2-6(15-3-9(11,12)13)4(8(16)17)1-7(5)20(14,18)19/h1-2,15H,3H2,(H,16,17)(H2,14,18,19)

HIDE SMILES / InChI

Molecular Formula C9H8ClF3N2O4S
Molecular Weight 332.684
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 12:02:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:49 GMT 2023
Record UNII
R6RQ56GY58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulfamoylanthranilic acid
Systematic Name English
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2,2,2-trifluoroethyl)amino]-
Systematic Name English
4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid
Systematic Name English
5-(Aminosulfonyl)-4-chloro-2-[(2,2,2-trifluoroethyl)amino]benzoic acid
Systematic Name English
Code System Code Type Description
CAS
85567-44-8
Created by admin on Sat Dec 16 12:02:49 GMT 2023 , Edited by admin on Sat Dec 16 12:02:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID90234771
Created by admin on Sat Dec 16 12:02:49 GMT 2023 , Edited by admin on Sat Dec 16 12:02:49 GMT 2023
PRIMARY
PUBCHEM
3020806
Created by admin on Sat Dec 16 12:02:49 GMT 2023 , Edited by admin on Sat Dec 16 12:02:49 GMT 2023
PRIMARY
FDA UNII
R6RQ56GY58
Created by admin on Sat Dec 16 12:02:49 GMT 2023 , Edited by admin on Sat Dec 16 12:02:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
287-757-2
Created by admin on Sat Dec 16 12:02:49 GMT 2023 , Edited by admin on Sat Dec 16 12:02:49 GMT 2023
PRIMARY