ChemSpider 2D Image | 5-Chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(1-methoxy-2-propanyl)oxy]-N-methylbenzenesulfonamide | C17H26ClNO5S

5-Chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(1-methoxy-2-propanyl)oxy]-N-methylbenzenesulfonamide

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID80547831

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

5-Chlor-N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(1-methoxy-2-propanyl)oxy]-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
5-Chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(1-methoxy-2-propanyl)oxy]-N-methylbenzenesulfonamide [ACD/IUPAC Name]
5-Chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(1-méthoxy-2-propanyl)oxy]-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-methoxy-1-methylethoxy)-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.4±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.90
ACD/KOC (pH 5.5): 1070.62
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.90
ACD/KOC (pH 7.4): 1070.62
Polar Surface Area: 84 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 299.4±5.0 cm3

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