ChemSpider 2D Image | 3-[(2-Aminoethyl)(1,1-dioxidotetrahydro-3-thiophenyl)sulfamoyl]-4-chlorobenzoic acid | C13H17ClN2O6S2

3-[(2-Aminoethyl)(1,1-dioxidotetrahydro-3-thiophenyl)sulfamoyl]-4-chlorobenzoic acid

  • Molecular FormulaC13H17ClN2O6S2
  • Average mass396.867 Da
  • Monoisotopic mass396.021667 Da
  • ChemSpider ID57255345

More details:

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

3-[(2-Aminoethyl)(1,1-dioxidotetrahydro-3-thiophenyl)sulfamoyl]-4-chlorbenzoesäure [German] [ACD/IUPAC Name]
3-[(2-Aminoethyl)(1,1-dioxidotetrahydro-3-thiophenyl)sulfamoyl]-4-chlorobenzoic acid [ACD/IUPAC Name]
Acide 3-[(2-aminoéthyl)(1,1-dioxydotétrahydro-3-thiophényl)sulfamoyl]-4-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2-aminoethyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]sulfonyl]-4-chloro- [ACD/Index Name]
3-{[(2-aminoethyl)(1,1-dioxidotetrahydro-3-thienyl)amino]sulfonyl}-4-chlorobenzoic acid
MFCD29909035

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

Density: 1.6±0.1 g/cm3
Boiling Point: 698.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 240.9±5.0 cm3

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