ChemSpider 2D Image | PF-04958242 | C18H20N2O4S2

PF-04958242

  • Molecular FormulaC18H20N2O4S2
  • Average mass392.492 Da
  • Monoisotopic mass392.086456 Da
  • ChemSpider ID32698813
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Propanesulfonamide, N-[(3S,4S)-4-[4-(5-cyano-2-thienyl)phenoxy]tetrahydro-3-furanyl]- [ACD/Index Name]
N-{(3S,4S)-4-[4-(5-Cyan-2-thienyl)phenoxy]tetrahydro-3-furanyl}-2-propansulfonamid [German] [ACD/IUPAC Name]
N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydro-3-furanyl}-2-propanesulfonamide [ACD/IUPAC Name]
N-{(3S,4S)-4-[4-(5-Cyano-2-thiényl)phénoxy]tétrahydro-3-furanyl}-2-propanesulfonamide [French] [ACD/IUPAC Name]
PF-04958242
1258963-59-5 [RN]
N-{(3s,4s)-4-[4-(5-Cyanothiophen-2-Yl)phenoxy]tetrahydrofuran-3-Yl}propane-2-Sulfonamide
UNII:9G1A824CC2
UNII-9G1A824CC2
XPF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 577.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.04
ACD/KOC (pH 5.5): 668.04
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.77
ACD/KOC (pH 7.4): 665.15
Polar Surface Area: 125 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 286.2±5.0 cm3

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