ChemSpider 2D Image | N-{(2S)-3-Methyl-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide | C16H25N3O5S2

N-{(2S)-3-Methyl-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide

  • Molecular FormulaC16H25N3O5S2
  • Average mass403.517 Da
  • Monoisotopic mass403.123566 Da
  • ChemSpider ID22885540

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S)-2-methyl-1-[[4-(methylsulfonyl)-1-piperazinyl]carbonyl]propyl]- [ACD/Index Name]
N-{(2S)-3-Methyl-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide [ACD/IUPAC Name]
N-{(2S)-3-Méthyl-1-[4-(méthylsulfonyl)-1-pipérazinyl]-1-oxo-2-butanyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S)-3-Methyl-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-butanyl}benzolsulfonamid [German] [ACD/IUPAC Name]
1177219-29-2 [RN]
N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
N-{(2S)-3-methyl-1-[4-(methylsulfonyl)piperazin-1-yl]-1-oxobutan-2-yl}benzenesulfonamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 598.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.2±3.0 kJ/mol
    Flash Point: 316.0±32.9 °C
    Index of Refraction: 1.600
    Molar Refractivity: 100.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 3.41
    ACD/KOC (pH 5.5): 83.81
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 3.39
    ACD/KOC (pH 7.4): 83.19
    Polar Surface Area: 121 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 60.5±5.0 dyne/cm
    Molar Volume: 292.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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