ChemSpider 2D Image | N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-4-(methylsulfanyl)-3-(1-piperidinylcarbonyl)benzenesulfonamide | C20H26N2O4S3

N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-4-(methylsulfanyl)-3-(1-piperidinylcarbonyl)benzenesulfonamide

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID68450332

More details:

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

Benzenesulfonamide, N-[2-[(2-furanylmethyl)thio]ethyl]-4-(methylthio)-3-(1-piperidinylcarbonyl)- [ACD/Index Name]
N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-4-(methylsulfanyl)-3-(1-piperidinylcarbonyl)benzenesulfonamide [ACD/IUPAC Name]
N-{2-[(2-Furylméthyl)sulfanyl]éthyl}-4-(méthylsulfanyl)-3-(1-pipéridinylcarbonyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-4-(methylsulfanyl)-3-(1-piperidinylcarbonyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-{[(FURAN-2-YL)METHYL]SULFANYL}ETHYL)-4-(METHYLSULFANYL)-3-(PIPERIDINE-1-CARBONYL)BENZENE-1-SULFONAMIDE
N-{2-[(FURAN-2-YLMETHYL)SULFANYL]ETHYL}-4-(METHYLSULFANYL)-3-(PIPERIDINE-1-CARBONYL)BENZENESULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.27
ACD/KOC (pH 5.5): 2230.24
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.02
ACD/KOC (pH 7.4): 2228.60
Polar Surface Area: 139 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement