ChemSpider 2D Image | N-(2-Chlorobenzyl)-N-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}phenyl)methanesulfonamide | C26H28ClN3O4S

N-(2-Chlorobenzyl)-N-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}phenyl)methanesulfonamide

  • Molecular FormulaC26H28ClN3O4S
  • Average mass514.036 Da
  • Monoisotopic mass513.148926 Da
  • ChemSpider ID867354

More details:

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

Methanesulfonamide, N-[(2-chlorophenyl)methyl]-N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]
N-(2-Chlorbenzyl)-N-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-N-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-N-(4-{[4-(2-méthoxyphényl)-1-pipérazinyl]carbonyl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
442867-31-4 [RN]
AC1LJNR8
AGN-PC-0JZ8AE
AKOS001668013
MCULE-7528088673
MolPort-002-833-804
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-988/40889750 [DBID]
ZINC00660611 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 708.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 382.0±35.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 138.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 4.19
    ACD/BCF (pH 5.5): 897.29
    ACD/KOC (pH 5.5): 4521.53
    ACD/LogD (pH 7.4): 4.19
    ACD/BCF (pH 7.4): 897.47
    ACD/KOC (pH 7.4): 4522.44
    Polar Surface Area: 79 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 385.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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