ChemSpider 2D Image | 4-{(1,1-Dioxidotetrahydro-3-thiophenyl)[(4-methoxyphenyl)sulfonyl]amino}butanoic acid | C15H21NO7S2

4-{(1,1-Dioxidotetrahydro-3-thiophenyl)[(4-methoxyphenyl)sulfonyl]amino}butanoic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID57255519

More details:

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

4-{(1,1-Dioxidotetrahydro-3-thiophenyl)[(4-methoxyphenyl)sulfonyl]amino}butanoic acid [ACD/IUPAC Name]
4-{(1,1-Dioxidotetrahydro-3-thiophenyl)[(4-methoxyphenyl)sulfonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{(1,1-dioxydotétrahydro-3-thiophényl)[(4-méthoxyphényl)sulfonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(4-methoxyphenyl)sulfonyl](tetrahydro-1,1-dioxido-3-thienyl)amino]- [ACD/Index Name]
4-{(1,1-dioxidotetrahydro-3-thienyl)[(4-methoxyphenyl)sulfonyl]amino}butanoic acid
MFCD29909224

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

Density: 1.5±0.1 g/cm3
Boiling Point: 670.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.05
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site


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