ChemSpider 2D Image | 5-Bromo-N-[(4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)methyl]-2-thiophenesulfonamide | C13H14BrNO4S2

5-Bromo-N-[(4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)methyl]-2-thiophenesulfonamide

  • Molecular FormulaC13H14BrNO4S2
  • Average mass392.289 Da
  • Monoisotopic mass390.954742 Da
  • ChemSpider ID67970957

More details:

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

2-Thiophenesulfonamide, 5-bromo-N-[(4,5,6,7-tetrahydro-4-hydroxy-4-benzofuranyl)methyl]- [ACD/Index Name]
5-Brom-N-[(4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)methyl]-2-thiophensulfonamid [German] [ACD/IUPAC Name]
5-Bromo-N-[(4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)methyl]-2-thiophenesulfonamide [ACD/IUPAC Name]
5-Bromo-N-[(4-hydroxy-4,5,6,7-tétrahydro-1-benzofuran-4-yl)méthyl]-2-thiophènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 454.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.92
ACD/KOC (pH 5.5): 912.55
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.78
ACD/KOC (pH 7.4): 911.22
Polar Surface Area: 116 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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