ChemSpider 2D Image | N-(2-{[(4-Chlorocinnamyl)(methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide | C26H29ClN2O4S

N-(2-{[(4-Chlorocinnamyl)(methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC26H29ClN2O4S
  • Average mass501.038 Da
  • Monoisotopic mass500.153656 Da
  • ChemSpider ID3705

More details:

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

139298-40-1 [RN]
Benzenesulfonamide, N-[2-[[[3-(4-chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy- [ACD/Index Name]
N-(2-{[(4-Chlorcinnamyl)(methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-{[(4-Chlorocinnamyl)(methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-(2-{[(4-Chlorocinnamyl)(méthyl)amino]méthyl}phényl)-N-(2-hydroxyéthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-[2-[[[3-(4-Chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

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

KN-93 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 10.63
ACD/KOC (pH 5.5): 48.49
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 480.30
ACD/KOC (pH 7.4): 2192.07
Polar Surface Area: 78 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 389.0±3.0 cm3

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