ChemSpider 2D Image | N-Butyl-4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)benzenesulfonamide | C24H36N4O6S2

N-Butyl-4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)benzenesulfonamide

  • Molecular FormulaC24H36N4O6S2
  • Average mass540.696 Da
  • Monoisotopic mass540.207642 Da
  • ChemSpider ID7983090
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzenesulfonamide, N-butyl-4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]-1-piperidinyl]- [ACD/Index Name]
N-Butyl-4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)benzenesulfonamide [ACD/IUPAC Name]
N-Butyl-4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(méthylsulfonyl)amino]phényl}éthyl]amino}-1-pipéridinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-Butyl-4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.9±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 165 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

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