ChemSpider 2D Image | (2-Chloro-5-methyl-4-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino}phenyl)(4-chlorophenyl)acetonitrile | C24H22Cl2N4O2S

(2-Chloro-5-methyl-4-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino}phenyl)(4-chlorophenyl)acetonitrile

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID4433069

More details:






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

(2-Chlor-5-methyl-4-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino}phenyl)(4-chlorphenyl)acetonitril [German] [ACD/IUPAC Name]
(2-Chloro-5-methyl-4-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino}phenyl)(4-chlorophenyl)acetonitrile [ACD/IUPAC Name]
(2-Chloro-5-méthyl-4-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino}phényl)(4-chlorophényl)acétonitrile [French] [ACD/IUPAC Name]
(2-Chloro-5-methyl-4-{[5-(pyrrolidin-1-ylsulfonyl)pyridin-2-yl]amino}phenyl)(4-chlorophenyl)acetonitrile
Benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-5-methyl-4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 644.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20706.30
ACD/KOC (pH 5.5): 42746.63
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20731.23
ACD/KOC (pH 7.4): 42798.09
Polar Surface Area: 94 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 356.5±3.0 cm3

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