ChemSpider 2D Image | N-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide | C27H30ClN3O3S2

N-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide

  • Molecular FormulaC27H30ClN3O3S2
  • Average mass544.128 Da
  • Monoisotopic mass543.141724 Da
  • ChemSpider ID79654347

More details:

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

Benzenesulfonamide, N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-N-(4-methylphenyl)-4-(methylthio)- [ACD/Index Name]
N-{2-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-methylphenyl)-4-(methylsulfanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide [ACD/IUPAC Name]
N-{2-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-2-oxoéthyl}-N-(4-méthylphényl)-4-(méthylsulfanyl)benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9308.90
ACD/KOC (pH 5.5): 24126.27
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9311.70
ACD/KOC (pH 7.4): 24133.53
Polar Surface Area: 95 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

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