ChemSpider 2D Image | 5-{[(3S)-3-(1-Propyn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}-1-piperazinyl]sulfonyl}-2-pyridinamine | C19H20F3N5O3S2

5-{[(3S)-3-(1-Propyn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}-1-piperazinyl]sulfonyl}-2-pyridinamine

  • Molecular FormulaC19H20F3N5O3S2
  • Average mass487.519 Da
  • Monoisotopic mass487.095978 Da
  • ChemSpider ID34240060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 5-[[(3S)-3-(1-propyn-1-yl)-4-[4-[S-(trifluoromethyl)sulfonimidoyl]phenyl]-1-piperazinyl]sulfonyl]- [ACD/Index Name]
5-{[(3S)-3-(1-Propin-1-yl)-4-{4-[S-(trifluormethyl)sulfonimidoyl]phenyl}-1-piperazinyl]sulfonyl}-2-pyridinamin [German] [ACD/IUPAC Name]
5-{[(3S)-3-(1-Propyn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}-1-piperazinyl]sulfonyl}-2-pyridinamine [ACD/IUPAC Name]
5-{[(3S)-3-(1-Propyn-1-yl)-4-{4-[S-(trifluorométhyl)sulfonimidoyl]phényl}-1-pipérazinyl]sulfonyl}-2-pyridinamine [French] [ACD/IUPAC Name]
5-{[(3S)-3-(prop-1-yn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 137 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 329.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement