ChemSpider 2D Image | 4-Methyl-N-[1-pentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide | C28H28N4O4S2

4-Methyl-N-[1-pentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID1519213

More details:

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

4-Methyl-N-[1-pentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]chinoxalin-2-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-Methyl-N-[1-pentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-[1-pentyl-3-(phénylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-[1-pentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]- [ACD/Index Name]
377057-77-7 [RN]
N-[3-(benzenesulfonyl)-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide

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

ZINC02405736 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 772.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.4±3.0 kJ/mol
    Flash Point: 420.7±35.7 °C
    Index of Refraction: 1.671
    Molar Refractivity: 151.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 8.73
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 148292.83
    ACD/KOC (pH 5.5): 172975.91
    ACD/LogD (pH 7.4): 6.50
    ACD/BCF (pH 7.4): 36535.50
    ACD/KOC (pH 7.4): 42616.77
    Polar Surface Area: 128 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 55.5±7.0 dyne/cm
    Molar Volume: 403.9±7.0 cm3

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