moleculefinder

Celecoxib

C17H14F3N3O2S381.4 g/mol Calculated

Also called Celebrex.

A non-steroidal anti-inflammatory sold as Celebrex. Its sulfonamide group fits a side pocket that the COX-2 enzyme has and COX-1 lacks, so it favours COX-2.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourceWikidataIts English label and aliases on Wikidata.
  • Formula and weightcomputedPubChem
  • 2D drawingcomputedPubChem structure, drawn by RDKit
  • 3D modelfrom sourcePubChem 3D conformerLoaded after the page has painted, and on a phone only when you ask for it; the 2D drawing shows until it arrives.

Where you encounter it

Dispensed on prescription, not sold on a shelf. Celecoxib on the product labels we hold.

Medicines

CelebrexAdded by the makerActive ingredient

Every product and list we hold

Sources and notes
  • The product labels and their strengthsfrom sourceDailyMed (FDA label)Each label lists the molecule as an ingredient, and an active ingredient at the strength shown.
  • How it gets therefrom sourceMoleculeFinder curatedEach mark is set by hand on our lists, never inferred; a label's ingredient is added by the maker. A row with no mark data says Not marked.
  • The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.

Explore its structure

Choose a part to light it up.

A sulfur carrying two oxygens and a nitrogen, written SO2N. It is a polar, sturdy group, the one the sulfa drugs are named for.

From: standard chemistry.

Sources and notes
  • The drawingcomputedPubChem structure, drawn by RDKitThe page's one shipped drawing, with the chosen part lit in amber under it.
  • The partscomputedFound by ruleEach part is found by a chemical pattern, never picked by hand atom by atom; its words say where they come from.

Compare a related molecule

Celecoxib

Ibuprofen

Ibuprofen blocks COX-1 and COX-2 about equally, while celecoxib was designed to hit COX-2 and largely spare COX-1, which maintains the stomach lining.

Celecoxib vs Ibuprofen, side by side
Sources and notes
  • The sentencefrom sourceMoleculeFinder comparison notesThe pair's answer line.
  • The two drawingscomputedPubChem structures, drawn by RDKitThe two drawings side by side.

Properties and sources

Calculated by PubChem

Molecular formula
C17H14F3N3O2S
Molecular weight
381.4 g/mol
XLogP3octanol/water, log units
3.4
Polar surface areatopological
86.4 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Complexity
577

Reported Hazard label (GHS), ECHA, HSDB via PubChem

Danger Irritant pictogram (GHS07), Health hazard pictogram (GHS08) and Environmental pictogram (GHS09); hazard statements H317, H319, H360, H401, H411

Reported Licence

The US Food and Drug Administration licenses Celecoxib for human use (NDA 020998, authorized December 31, 1998). Drugs@FDA

Groups it belongs to

Category
Prescription medicine
Family
NSAIDs
Chemical groups
Amines, Aromatics, Halogenated
Elements
Fluorine, Nitrogen, Sulfur
Hazard classes
Irritant, Health hazard, Environmental hazard, GHS Danger
SMILESCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

PubChem CID 2662 · Wikidata Q408801 · InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Celecoxib?
A non-steroidal anti-inflammatory sold as Celebrex. Its sulfonamide group fits a side pocket that the COX-2 enzyme has and COX-1 lacks, so it favours COX-2.
How toxic is Celecoxib?
Its GHS hazard label carries the signal word Danger and the hazard pictograms Irritant, Health hazard and Environmental. from source
What kind of molecule is Celecoxib?
Celecoxib has the formula C17H14F3N3O2S and a molecular weight of 381.4 g/mol. MoleculeFinder files it under NSAIDs, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
What else is Celecoxib called?
Celecoxib is also called Celebrex. from source
Who licenses Celecoxib as a medicine?
The US Food and Drug Administration licenses Celecoxib for human use (NDA 020998, authorized December 31, 1998). from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • Hazard labelfrom sourceECHA, HSDB via PubChemThe label combines these classifications.
  • ECHAfrom sourceAttributionSource: European Chemicals Agency, echa.europa.eu.
  • Licencefrom sourceDrugs@FDARead 2026-10-21.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09

Keep exploring

Compared side by side with celecoxibIbuprofenC13H18O2
Sources and notes
  • Compared side by sidefrom sourceMoleculeFinder comparison notesA molecule we compare it with on its own page.
  • The drawingscomputedPubChem structures, drawn by RDKit