ChemSpider 2D Image | 2-[4-(5-{[4-(2-Cyanophenyl)-1-piperazinyl]methyl}-2,4-dimethylbenzoyl)-1-piperazinyl]benzenesulfonamide | C31H36N6O3S

2-[4-(5-{[4-(2-Cyanophenyl)-1-piperazinyl]methyl}-2,4-dimethylbenzoyl)-1-piperazinyl]benzenesulfonamide

  • Molecular FormulaC31H36N6O3S
  • Average mass572.721 Da
  • Monoisotopic mass572.256958 Da
  • ChemSpider ID98644474

More details:

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

2-[4-(5-{[4-(2-Cyanophenyl)-1-piperazinyl]methyl}-2,4-dimethylbenzoyl)-1-piperazinyl]benzenesulfonamide [ACD/IUPAC Name]
2-[4-(5-{[4-(2-Cyanophényl)-1-pipérazinyl]méthyl}-2,4-diméthylbenzoyl)-1-pipérazinyl]benzènesulfonamide [French] [ACD/IUPAC Name]
2-[4-(5-{[4-(2-Cyanphenyl)-1-piperazinyl]methyl}-2,4-dimethylbenzoyl)-1-piperazinyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[4-[5-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-2,4-dimethylbenzoyl]-1-piperazinyl]- [ACD/Index Name]
2-[4-[5-[[4-(2-Cyanophenyl)-1-piperazinyl]methyl]-2,4-dimethylbenzoyl]-1-piperazinyl]-benzenesulfonamide
2226614-88-4 [RN]
NV-5440

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

Density: 1.4±0.1 g/cm3
Boiling Point: 819.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.3±37.1 °C
Index of Refraction: 1.691
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 7.08
ACD/KOC (pH 5.5): 91.41
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.28
ACD/KOC (pH 7.4): 403.90
Polar Surface Area: 122 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

Click to predict properties on the Chemicalize site


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