ChemSpider 2D Image | 4-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-{[1-(3-thienyl)cyclopentyl]methyl}benzenesulfonamide | C20H26N2O4S3

4-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-{[1-(3-thienyl)cyclopentyl]methyl}benzenesulfonamide

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID39384976

More details:

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

4-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-{[1-(3-thienyl)cyclopentyl]methyl}benzenesulfonamide [ACD/IUPAC Name]
4-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-{[1-(3-thienyl)cyclopentyl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-(1,1-Dioxydo-1,2-thiazinan-2-yl)-N-{[1-(3-thiényl)cyclopentyl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-N-[[1-(3-thienyl)cyclopentyl]methyl]- [ACD/Index Name]
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-((1-(thiophen-3-yl)cyclopentyl)methyl)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: 635.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.9±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.04
ACD/KOC (pH 5.5): 1483.05
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.99
ACD/KOC (pH 7.4): 1482.74
Polar Surface Area: 129 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

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