ChemSpider 2D Image | 25U4N985O2 | C18H12Cl2FN5O3S2

25U4N985O2

  • Molecular FormulaC18H12Cl2FN5O3S2
  • Average mass500.354 Da
  • Monoisotopic mass498.974274 Da
  • ChemSpider ID29411106

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

1235403-62-9 [RN]
25U4N985O2
4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide [ACD/IUPAC Name]
4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophénoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorphenoxy]-5-chlor-2-fluor-N-(1,3-thiazol-4-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-4-thiazolyl- [ACD/Index Name]
PF-05089771
4-(2-(3-amino-1H-pyrazol-4-yl)-4-chlorophenoxy)-5-chloro-2-fluoro-N-(thiazol-4-yl)benzenesulfonamide
4-?[2-?(3-?amino-?1H-?pyrazol-?4-?yl)?-?4-?chlorophenoxy]?-?5-?chloro-?2-?fluoro-?N-?4-?thiazolyl-Benzenesulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 699.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 116.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 441.72
ACD/KOC (pH 5.5): 2279.53
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 20.23
ACD/KOC (pH 7.4): 104.39
Polar Surface Area: 160 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

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