ChemSpider 2D Image | N-(2-Butyn-1-yl)-4-methyl-N-({2-[(4-methylphenyl)sulfonyl]-2,3,5,7a-tetrahydro-1H-isoindol-4-yl}methyl)benzenesulfonamide | C27H30N2O4S2

N-(2-Butyn-1-yl)-4-methyl-N-({2-[(4-methylphenyl)sulfonyl]-2,3,5,7a-tetrahydro-1H-isoindol-4-yl}methyl)benzenesulfonamide

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID17253735

More details:

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

Benzenesulfonamide, N-2-butyn-1-yl-4-methyl-N-[[2,3,5,7a-tetrahydro-2-[(4-methylphenyl)sulfonyl]-1H-isoindol-4-yl]methyl]- [ACD/Index Name]
N-(2-Butin-1-yl)-4-methyl-N-({2-[(4-methylphenyl)sulfonyl]-2,3,5,7a-tetrahydro-1H-isoindol-4-yl}methyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-Butyn-1-yl)-4-methyl-N-({2-[(4-methylphenyl)sulfonyl]-2,3,5,7a-tetrahydro-1H-isoindol-4-yl}methyl)benzenesulfonamide [ACD/IUPAC Name]
N-(2-Butyn-1-yl)-4-méthyl-N-({2-[(4-méthylphényl)sulfonyl]-2,3,5,7a-tétrahydro-1H-isoindol-4-yl}méthyl)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: 672.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15081.79
ACD/KOC (pH 5.5): 34081.96
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15081.79
ACD/KOC (pH 7.4): 34081.96
Polar Surface Area: 92 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement