ChemSpider 2D Image | N-[2-(4-Benzyl-1-piperazinyl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide | C27H31N3O3S2

N-[2-(4-Benzyl-1-piperazinyl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID23080465

More details:

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

Benzenesulfonamide, N-(4-methylphenyl)-4-(methylthio)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]- [ACD/Index Name]
N-[2-(4-Benzyl-1-piperazinyl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide [ACD/IUPAC Name]
N-[2-(4-Benzyl-1-pipérazinyl)-2-oxoéthyl]-N-(4-méthylphényl)-4-(méthylsulfanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[2-(4-Benzyl-1-piperazinyl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylsulfanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylsulfanyl)benzenesulfonamide
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-N-p-tolyl-benzenesulfonamide
N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-(4-METHYLPHENYL)-4-(METHYLSULFANYL)BENZENE-1-SULFONAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 589.30
ACD/KOC (pH 5.5): 2689.79
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1252.92
ACD/KOC (pH 7.4): 5718.80
Polar Surface Area: 95 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement