ChemSpider 2D Image | 4-[3-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl](~2~H_4_)benzenesulfonamide | C17H10D4F3N3O2S

4-[3-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl](2H4)benzenesulfonamide

  • Molecular FormulaC17H10D4F3N3O2S
  • Average mass385.397 Da
  • Monoisotopic mass385.100983 Da
  • ChemSpider ID48057811

  • Non-standard isotope - Non-standard isotope

More details:

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

1346604-14-5 [RN]
4-[3-(4-Methylphenyl)-5-(trifluormethyl)-1H-pyrazol-1-yl](2H4)benzolsulfonamid [German] [ACD/IUPAC Name]
4-[3-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl](2H4)benzenesulfonamide [ACD/IUPAC Name]
4-[3-(4-Méthylphényl)-5-(trifluorométhyl)-1H-pyrazol-1-yl](2H4)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzene-2,3,5,6-d4-sulfonamide, 4-[3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
2,3,5,6-tetradeuterio-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
n-de(4-sulfonamidophenyl)-n???-[4-sulfonamido(phenyl-d4)] celecoxib

    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): 3.38
    ACD/BCF (pH 5.5): 216.71
    ACD/KOC (pH 5.5): 1635.40
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 215.60
    ACD/KOC (pH 7.4): 1626.99
    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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