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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3NO3S
Molecular Weight 241.188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-4-(trifluoromethyl)benzenesulfonic acid

SMILES

NC1=CC(=CC=C1S(O)(=O)=O)C(F)(F)F

InChI

InChIKey=LHIOGENQCVAALC-UHFFFAOYSA-N
InChI=1S/C7H6F3NO3S/c8-7(9,10)4-1-2-6(5(11)3-4)15(12,13)14/h1-3H,11H2,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C7H6F3NO3S
Molecular Weight 241.188
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 19:11:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:17 GMT 2025
Record UNII
7K9JM9Q7GR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Amino-?,?,?-trifluorotoluene-4-sulphonic acid
Preferred Name English
2-Amino-4-(trifluoromethyl)benzenesulfonic acid
Systematic Name English
3-Amino-?,?,?-trifluorotoluene-4-sulfonic acid
Common Name English
NSC-146126
Code English
2-Amino-4-(trifluoromethyl)benzene-1-sulfonic acid
Systematic Name English
Benzenesulfonic acid, 2-amino-4-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
1513-44-6
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY
PUBCHEM
73933
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY
FDA UNII
7K9JM9Q7GR
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-151-2
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID00164752
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY
NSC
146126
Created by admin on Tue Apr 01 19:11:17 GMT 2025 , Edited by admin on Tue Apr 01 19:11:17 GMT 2025
PRIMARY