ChemSpider 2D Image | N-(2-Aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophenesulfonamide | C13H14N4O2S2

N-(2-Aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophenesulfonamide

  • Molecular FormulaC13H14N4O2S2
  • Average mass322.406 Da
  • Monoisotopic mass322.055817 Da
  • ChemSpider ID35033869

More details:

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

2-Thiophenesulfonamide, N-(2-aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)- [ACD/Index Name]
N-(2-Aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophenesulfonamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophensulfonamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide
IE4

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

Density: 1.6±0.1 g/cm3
Boiling Point: 649.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 133 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 202.1±7.0 cm3

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