ChemSpider 2D Image | 6-[3-Cyano-6-ethyl-5-fluoro-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(2S)-1,1,1-trifluoro-2-propanyl]-3-pyridinesulfonamide | C24H19F4N5O2S

6-[3-Cyano-6-ethyl-5-fluoro-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(2S)-1,1,1-trifluoro-2-propanyl]-3-pyridinesulfonamide

  • Molecular FormulaC24H19F4N5O2S
  • Average mass517.499 Da
  • Monoisotopic mass517.119568 Da
  • ChemSpider ID31141405

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinesulfonamide, 6-[3-cyano-6-ethyl-5-fluoro-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methylethyl]- [ACD/Index Name]
6-[3-Cyan-6-ethyl-5-fluor-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(2S)-1,1,1-trifluor-2-propanyl]-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
6-[3-Cyano-6-ethyl-5-fluoro-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(2S)-1,1,1-trifluoro-2-propanyl]-3-pyridinesulfonamide [ACD/IUPAC Name]
6-[3-Cyano-6-éthyl-5-fluoro-1-(4-pyridinyl)-1H-indol-2-yl]-N-[(2S)-1,1,1-trifluoro-2-propanyl]-3-pyridinesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.66
ACD/KOC (pH 5.5): 2321.31
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 91.37
ACD/KOC (pH 7.4): 589.75
Polar Surface Area: 109 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 361.6±7.0 cm3

Click to predict properties on the Chemicalize site


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