Celecoxib 3D structure

Celecoxib (also called Celebrex, Celebra) has the formula C17H14F3N3O2S and a molar mass of 381.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C17H14F3N3O2S
Molar mass
381.4 g/mol
PubChem CID
2662
Heavy atoms
26
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
PubChem CID2662
Other namesCelebrex, Celebra, Onsenal, Celecoxibum, ELYXYB

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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