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Search term: QBYYCHRRPPTEBG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide | C21H25N3O4S2

N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide

  • Molecular FormulaC21H25N3O4S2
  • Average mass447.571 Da
  • Monoisotopic mass447.128632 Da
  • ChemSpider ID28643875

More details:

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

N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
AQ2
Benzenesulfonamide, 4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)- [ACD/Index Name]
N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-4-(2-isopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-4-(2-isopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-2H-thiopyrane-4-yl)-4-(2-isopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.7±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.18
ACD/KOC (pH 5.5): 486.60
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.87
ACD/KOC (pH 7.4): 494.94
Polar Surface Area: 126 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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