ChemSpider 2D Image | 4-Bromo-N-[(E)-({2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfonyl]ethyl}imino)methyl]benzenesulfonamide | C14H17BrN6O4S3

4-Bromo-N-[(E)-({2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfonyl]ethyl}imino)methyl]benzenesulfonamide

  • Molecular FormulaC14H17BrN6O4S3
  • Average mass509.422 Da
  • Monoisotopic mass507.965668 Da
  • ChemSpider ID130796

More details:

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

4-Brom-N-[(E)-({2-[({2-[(diaminomethylen)amino]-1,3-thiazol-4-yl}methyl)sulfonyl]ethyl}imino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-Bromo-N-[(E)-({2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfonyl]ethyl}imino)methyl]benzenesulfonamide [ACD/IUPAC Name]
4-Bromo-N-[(E)-({2-[({2-[(diaminométhylène)amino]-1,3-thiazol-4-yl}méthyl)sulfonyl]éthyl}imino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-bromo-N-[(E)-[[2-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]sulfonyl]ethyl]imino]methyl]- [ACD/Index Name]
152675-29-1 [RN]
Benzenesulfonamide, N-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)sulfonyl)ethyl)amino)methylene)-4-bromo-
Ebrotidine S,S-dioxide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 780.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 425.8±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 77.7±7.0 dyne/cm
Molar Volume: 280.9±7.0 cm3

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