ChemSpider 2D Image | 1-(4-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}-1-piperazinyl)ethanone | C17H22N2O6S2

1-(4-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}-1-piperazinyl)ethanone

  • Molecular FormulaC17H22N2O6S2
  • Average mass414.496 Da
  • Monoisotopic mass414.091919 Da
  • ChemSpider ID23495338

More details:

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

1-(4-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{4-[(1,1-Dioxidotetrahydrothiophen-3-yl)sulfonyl]benzoyl}piperazin-1-yl)ethanone
1-(4-{4-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfonyl]benzoyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]benzoyl]-1-piperazinyl]- [ACD/Index Name]
1-[4-({4-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}carbonyl)piperazin-1-yl]ethanone
1-[4-[4-(1,1-dioxothiolan-3-yl)sulfonylbenzoyl]piperazin-1-yl]ethanone
1011692-54-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 768.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.9±3.0 kJ/mol
    Flash Point: 418.7±32.9 °C
    Index of Refraction: 1.600
    Molar Refractivity: 99.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -2.38
    ACD/LogD (pH 5.5): -1.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.27
    ACD/LogD (pH 7.4): -1.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.27
    Polar Surface Area: 126 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 290.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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