ChemSpider 2D Image | 3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide | C23H33ClN2O6S2

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

  • Molecular FormulaC23H33ClN2O6S2
  • Average mass533.101 Da
  • Monoisotopic mass532.146851 Da
  • ChemSpider ID34232472

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Chlor-N-[(2R)-1-hydroxy-2-propanyl]-N-[(2S,3R)-3-methoxy-2-methyl-4-{methyl[(4-methylphenyl)sulfonyl]amino}butyl]benzolsulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-[(2R)-1-hydroxy-2-propanyl]-N-[(2S,3R)-3-methoxy-2-methyl-4-{methyl[(4-methylphenyl)sulfonyl]amino}butyl]benzenesulfonamide [ACD/IUPAC Name]
3-Chloro-N-[(2R)-1-hydroxy-2-propanyl]-N-[(2S,3R)-3-méthoxy-2-méthyl-4-{méthyl[(4-méthylphényl)sulfonyl]amino}butyl]benzènesulfonamide [French] [ACD/IUPAC Name]
3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
Benzenesulfonamide, 3-chloro-N-[(1R)-2-hydroxy-1-methylethyl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl[(4-methylphenyl)sulfonyl]amino]butyl]- [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: 668.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.3±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1729.55
ACD/KOC (pH 5.5): 7232.86
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1729.55
ACD/KOC (pH 7.4): 7232.86
Polar Surface Area: 121 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

Click to predict properties on the Chemicalize site


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