ChemSpider 2D Image | N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide | C19H24Cl2N2O4S

N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

  • Molecular FormulaC19H24Cl2N2O4S
  • Average mass447.376 Da
  • Monoisotopic mass446.083374 Da
  • ChemSpider ID23342984
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Methanesulfonamide, N-[4-[(2S)-3-[[2-(3,4-dichlorophenyl)ethyl]methylamino]-2-hydroxypropoxy]phenyl]- [ACD/Index Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophényl)éthyl](méthyl)amino}-2-hydroxypropoxy]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorphenyl)ethyl](methyl)amino}-2-hydroxypropoxy]phenyl}methansulfonamid [German] [ACD/IUPAC Name]
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
CHEMBL523167
N-(4-{[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropyl]oxy}phenyl)methanesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 46.05
ACD/KOC (pH 7.4): 349.09
Polar Surface Area: 87 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

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