ChemSpider 2D Image | N-(2-Ethylphenyl)-N-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide | C28H33N3O4S

N-(2-Ethylphenyl)-N-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide

  • Molecular FormulaC28H33N3O4S
  • Average mass507.644 Da
  • Monoisotopic mass507.219177 Da
  • ChemSpider ID2800825

More details:

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

Benzenesulfonamide, N-(2-ethylphenyl)-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-methyl- [ACD/Index Name]
N-(2-Ethylphenyl)-N-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-(2-Éthylphényl)-N-{2-[4-(4-méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Ethylphenyl)-N-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-ethylphenyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzenesulfonamide
506448-25-5 [RN]
AC1MSQCG
AGN-PC-0KWJ29
AKOS000384919
IBS-L0192568
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-487/40936575 [DBID]
ZINC08384430 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 702.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.8±3.0 kJ/mol
    Flash Point: 378.7±35.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 142.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.06
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1842.12
    ACD/KOC (pH 5.5): 7539.88
    ACD/LogD (pH 7.4): 4.61
    ACD/BCF (pH 7.4): 1865.07
    ACD/KOC (pH 7.4): 7633.80
    Polar Surface Area: 79 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 409.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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