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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14F3N3O2S
Molecular Weight 381.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-(3-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE

SMILES

CC1=CC(=CC=C1)C2=CC(=NN2C3=CC=C(C=C3)S(N)(=O)=O)C(F)(F)F

InChI

InChIKey=MPVPOTMPKLOUHZ-UHFFFAOYSA-N
InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(5-(3-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
Systematic Name English
CELECOXIB IMPURITY A [EP IMPURITY]
Preferred Name English
CELECOXIB RELATED COMPOUND A [USP-RS]
Common Name English
BENZENESULFONAMIDE, 4-(5-(3-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-
Systematic Name English
CELECOXIB RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1098515
Created by admin on Wed Apr 02 10:47:44 GMT 2025 , Edited by admin on Wed Apr 02 10:47:44 GMT 2025
PRIMARY
PUBCHEM
10199832
Created by admin on Wed Apr 02 10:47:44 GMT 2025 , Edited by admin on Wed Apr 02 10:47:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID60436720
Created by admin on Wed Apr 02 10:47:44 GMT 2025 , Edited by admin on Wed Apr 02 10:47:44 GMT 2025
PRIMARY
FDA UNII
1RBK3FD79Y
Created by admin on Wed Apr 02 10:47:44 GMT 2025 , Edited by admin on Wed Apr 02 10:47:44 GMT 2025
PRIMARY
CAS
170570-01-1
Created by admin on Wed Apr 02 10:47:44 GMT 2025 , Edited by admin on Wed Apr 02 10:47:44 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966