ChemSpider 2D Image | N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-hydroxy-1,3-benzoxazole-6-sulfonamide | C20H16N2O9S2

N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-hydroxy-1,3-benzoxazole-6-sulfonamide

  • Molecular FormulaC20H16N2O9S2
  • Average mass492.479 Da
  • Monoisotopic mass492.029724 Da
  • ChemSpider ID62474662

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Benzoxazolesulfonamide, N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-furanyl)ethyl]-2,3-dihydro-2-oxo- [ACD/Index Name]
6-Benzoxazolesulfonamide, N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-furanyl)ethyl]-2-hydroxy- [ACD/Index Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-hydroxy-1,3-benzoxazol-6-sulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-hydroxy-1,3-benzoxazole-6-sulfonamide [ACD/IUPAC Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)éthyl]-2-hydroxy-1,3-benzoxazole-6-sulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-sulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [ACD/IUPAC Name]
N-[(2S)-2-(1,3-Benzodioxol-5-ylsulfonyl)-2-(2-furyl)éthyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 764.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 416.1±35.7 °C
Index of Refraction: 1.670
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 38.25
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement