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

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

  • Molecular FormulaC19H24Cl2N2O4S
  • Average mass447.376 Da
  • Monoisotopic mass446.083374 Da
  • ChemSpider ID23342735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethanesulfonamide, N-[4-[(2S)-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]- [ACD/Index Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}ethanesulfonamide [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophényl)éthyl]amino}-2-hydroxypropoxy]phényl}éthanesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorphenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}ethansulfonamid [German] [ACD/IUPAC Name]
(S)-1-(4-ethylsulphonamidophenoxy)-3-(3,4-dichlorophenylethylamino)-2-propanol
CHEMBL495283
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495283/
N-(4-{[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]oxy}phenyl)ethanesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 13.78
ACD/KOC (pH 7.4): 96.38
Polar Surface Area: 96 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

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