ChemSpider 2D Image | 4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-N-methylbenzenesulfonamide | C19H23N5O4S2

4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-N-methylbenzenesulfonamide

  • Molecular FormulaC19H23N5O4S2
  • Average mass449.547 Da
  • Monoisotopic mass449.119141 Da
  • ChemSpider ID34238285
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propin-1-yl)-1-piperazinyl]-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-N-methylbenzenesulfonamide [ACD/IUPAC Name]
4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-pipérazinyl]-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]-N-Methylbenzenesulfonamide
Benzenesulfonamide, 4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-N-methyl- [ACD/Index Name]
2TJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 695.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.40
ACD/KOC (pH 5.5): 113.22
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.35
Polar Surface Area: 142 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

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