Substance
- Substance Name: celebrex
- Formula: C17H14F3N3O2S
- Molecular Weight: 381.4 g/mol
- Identifiers:
- inchi: InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
- inchikey: RZEKVGVHFLEQIL-UHFFFAOYSA-N
- casrn: 169590-42-5
- csmiles: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
- ismiles: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
- pubchemId: 2662
- iupacname: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
- wikidataId: Q408801
- chemspiderId: 2562
- dsstoxcmpId: DTXCID502777
- chemblId: CHEMBL118
- ecnumber: 685-962-5
celebrex
Systems and Datasets
- celebrex (Datasets: 5)
- Dataset 6 in paper 10.1016/j.tca.2018.03.012 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 7 in paper 10.1016/j.tca.2018.03.012 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 8 in paper 10.1016/j.tca.2018.03.012 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 1 in paper 10.1016/j.tca.2018.11.004 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 2 in paper 10.1016/j.tca.2018.11.004 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)