ChemSpider 2D Image | Celecoxib-d7 | C17H7D7F3N3O2S

Celecoxib-d7

  • Molecular FormulaC17H7D7F3N3O2S
  • Average mass388.415 Da
  • Monoisotopic mass388.119812 Da
  • ChemSpider ID23935622

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{5-[4-(2H3)Methyl(2H4)phenyl]-3-(trifluormethyl)-1H-pyrazol-1-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{5-[4-(2H3)Methyl(2H4)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzenesulfonamide [ACD/IUPAC Name]
4-{5-[4-(2H3)Méthyl(2H4)phényl]-3-(trifluorométhyl)-1H-pyrazol-1-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
544686-21-7 [RN]
Benzenesulfonamide, 4-[5-[4-(methyl-d3)phenyl-2,3,5,6-d4]-3-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
Celecoxib-d7
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide [ACD/IUPAC Name]
4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
4-[5-[4-(methyl-d3)phenyl-2,3,5,6-d4]-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide
4-{5-[4-(2H3)Methyl(2H4)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 529.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 273.7±32.9 °C
    Index of Refraction: 1.606
    Molar Refractivity: 91.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.21
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 169.53
    ACD/KOC (pH 5.5): 1371.79
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 168.65
    ACD/KOC (pH 7.4): 1364.73
    Polar Surface Area: 86 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 266.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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