ChemSpider 2D Image | N-[1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)ethyl]-2,4-dimethoxybenzenesulfonamide | C20H19NO8S

N-[1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)ethyl]-2,4-dimethoxybenzenesulfonamide

  • Molecular FormulaC20H19NO8S
  • Average mass433.432 Da
  • Monoisotopic mass433.083130 Da
  • ChemSpider ID24699599

More details:

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

Benzenesulfonamide, N-[1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)ethyl]-2,4-dimethoxy- [ACD/Index Name]
N-[1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)éthyl]-2,4-diméthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-[1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)ethyl]-2,4-dimethoxybenzenesulfonamide [ACD/IUPAC Name]
N-[1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)ethyl]-2,4-dimethoxybenzolsulfonamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479265/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 387.3±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.85
ACD/KOC (pH 5.5): 1330.47
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 40.00
ACD/KOC (pH 7.4): 322.83
Polar Surface Area: 148 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 296.0±3.0 cm3

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