ChemSpider 2D Image | N-(3-{5-(4-Methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)ethanesulfonamide | C25H27N3O5S2

N-(3-{5-(4-Methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)ethanesulfonamide

  • Molecular FormulaC25H27N3O5S2
  • Average mass513.629 Da
  • Monoisotopic mass513.139221 Da
  • ChemSpider ID3249267

More details:

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

Ethanesulfonamide, N-[3-[4,5-dihydro-5-(4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl]phenyl]- [ACD/Index Name]
N-(3-{5-(4-Methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)ethanesulfonamide [ACD/IUPAC Name]
N-(3-{5-(4-Méthoxyphényl)-1-[(4-méthylphényl)sulfonyl]-4,5-dihydro-1H-pyrazol-3-yl}phényl)éthanesulfonamide [French] [ACD/IUPAC Name]
N-(3-{5-(4-Methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)ethansulfonamid [German] [ACD/IUPAC Name]
851782-81-5 [RN]
N-(3-(5-(4-methoxyphenyl)-1-tosyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
N-[3-[3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
N-{3-[5-(4-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 685.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 368.3±34.3 °C
    Index of Refraction: 1.635
    Molar Refractivity: 138.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 208.24
    ACD/KOC (pH 5.5): 1588.86
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 190.64
    ACD/KOC (pH 7.4): 1454.61
    Polar Surface Area: 122 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 385.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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