Molecular Identity
Celecoxib
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID: 2662
2D Structure
Properties
C17H14F3N3O2S
Molecular Formula
381.40
Molecular Weight
g/mol
381.0759
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
86.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)FIsomeric SMILES
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)FSynonyms(20)
celecoxib169590-42-5CelebrexCelebraOnsenal4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamideSC-58635184007-95-2YM 177p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamideCelecoxibumDTXSID0022777SC58635DFN15
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Celecoxib
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