ChemSpider 2D Image | N,N'-(4,5-Dinitro-1,2-phenylene)bis(4-methylbenzenesulfonamide) | C20H18N4O8S2

N,N'-(4,5-Dinitro-1,2-phenylene)bis(4-methylbenzenesulfonamide)

  • Molecular FormulaC20H18N4O8S2
  • Average mass506.509 Da
  • Monoisotopic mass506.056610 Da
  • ChemSpider ID4403065

More details:

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

Benzenesulfonamide, N,N'-(4,5-dinitro-1,2-phenylene)bis[4-methyl- [ACD/Index Name]
N,N'-(4,5-Dinitro-1,2-phenylen)bis(4-methylbenzolsulfonamid) [German] [ACD/IUPAC Name]
N,N'-(4,5-Dinitro-1,2-phenylene)bis(4-methylbenzenesulfonamide) [ACD/IUPAC Name]
N,N'-(4,5-Dinitro-1,2-phénylène)bis(4-méthylbenzènesulfonamide) [French] [ACD/IUPAC Name]
23680-12-8 [RN]
29420-81-3 [RN]
4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide
4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4,5-dinitrophenyl]benzenesulfonamide

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

ZINC04244397 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 688.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 617.55
ACD/KOC (pH 5.5): 1904.91
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 22.51
Polar Surface Area: 201 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 323.9±3.0 cm3

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