ChemSpider 2D Image | 4-[5-(2,5-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl](~2~H_4_)benzenesulfonamide | C18H12D4F3N3O2S

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

  • Molecular FormulaC18H12D4F3N3O2S
  • Average mass399.423 Da
  • Monoisotopic mass399.116638 Da
  • ChemSpider ID48060063

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[5-(2,5-Dimethylphenyl)-3-(trifluormethyl)-1H-pyrazol-1-yl](2H4)benzolsulfonamid [German] [ACD/IUPAC Name]
4-[5-(2,5-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl](2H4)benzenesulfonamide [ACD/IUPAC Name]
4-[5-(2,5-Diméthylphényl)-3-(trifluorométhyl)-1H-pyrazol-1-yl](2H4)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzene-2,3,5,6-d4-sulfonamide, 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
1346603-87-9 [RN]
2,5-dimethyl celecoxib-d4

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 516.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 266.3±32.9 °C
    Index of Refraction: 1.600
    Molar Refractivity: 96.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 313.66
    ACD/KOC (pH 5.5): 2130.89
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 312.04
    ACD/KOC (pH 7.4): 2119.87
    Polar Surface Area: 86 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 44.5±7.0 dyne/cm
    Molar Volume: 281.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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