ChemSpider 2D Image | N-(4-{2-[(5-Aminopentyl)(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide | C23H36N4O5S2

N-(4-{2-[(5-Aminopentyl)(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID20565076

More details:

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

Methanesulfonamide, N-[4-[2-[(5-aminopentyl)[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
N-(4-{2-[(5-Aminopentyl)(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(4-{2-[(5-Aminopentyl)(2-{4-[(méthylsulfonyl)amino]phénoxy}éthyl)amino]éthyl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(4-{2-[(5-Aminopentyl)(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methansulfonamid [German] [ACD/IUPAC 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: 683.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 398.1±3.0 cm3

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