ChemSpider 2D Image | 6-Chloro-N-[(1-{[2'-(methylsulfonyl)-4-biphenylyl]carbonyl}-3-pyrrolidinyl)methyl]-2-naphthalenesulfonamide | C29H27ClN2O5S2

6-Chloro-N-[(1-{[2'-(methylsulfonyl)-4-biphenylyl]carbonyl}-3-pyrrolidinyl)methyl]-2-naphthalenesulfonamide

  • Molecular FormulaC29H27ClN2O5S2
  • Average mass583.118 Da
  • Monoisotopic mass582.104980 Da
  • ChemSpider ID9379110

More details:

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

2-Naphthalenesulfonamide, 6-chloro-N-[[1-[[2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]carbonyl]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
6-Chlor-N-[(1-{[2'-(methylsulfonyl)-4-biphenylyl]carbonyl}-3-pyrrolidinyl)methyl]-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-N-[(1-{[2'-(méthylsulfonyl)-4-biphénylyl]carbonyl}-3-pyrrolidinyl)méthyl]-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
6-Chloro-N-[(1-{[2'-(methylsulfonyl)-4-biphenylyl]carbonyl}-3-pyrrolidinyl)methyl]-2-naphthalenesulfonamide [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: 829.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±37.1 °C
Index of Refraction: 1.644
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.23
ACD/KOC (pH 5.5): 4015.90
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 760.09
ACD/KOC (pH 7.4): 4015.15
Polar Surface Area: 117 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

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