ChemSpider 2D Image | 2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-5-[(3,5-dimethyl-1-piperidinyl)carbonyl]-N-(3-methoxyphenyl)benzenesulfonamide | C31H39N3O6S

2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-5-[(3,5-dimethyl-1-piperidinyl)carbonyl]-N-(3-methoxyphenyl)benzenesulfonamide

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID5048822

More details:

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

2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-5-[(3,5-dimethyl-1-piperidinyl)carbonyl]-N-(3-methoxyphenyl)benzenesulfonamide [ACD/IUPAC Name]
2-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-5-[(3,5-diméthyl-1-pipéridinyl)carbonyl]-N-(3-méthoxyphényl)benzènesulfonamide [French] [ACD/IUPAC Name]
2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-5-[(3,5-dimethyl-1-piperidinyl)carbonyl]-N-(3-methoxyphenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-5-[(3,5-dimethyl-1-piperidinyl)carbonyl]-N-(3-methoxyphenyl)- [ACD/Index Name]

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

ChemDiv1_015184 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.9±35.7 °C
Index of Refraction: 1.591
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6741.10
ACD/KOC (pH 5.5): 19117.00
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4527.66
ACD/KOC (pH 7.4): 12839.92
Polar Surface Area: 115 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

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