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Search term: 24832025 (Found by CSID)
ChemSpider 2D Image | 4-Methyl-N-{2-[(E)-(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide | C27H25N3O4S2

4-Methyl-N-{2-[(E)-(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide

  • Molecular FormulaC27H25N3O4S2
  • Average mass519.635 Da
  • Monoisotopic mass519.128662 Da
  • ChemSpider ID24832025

More details:

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

4-Methyl-N-{2-[(E)-(2-{[(4-methylphenyl)sulfonyl]amino}benzyliden)amino]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-Methyl-N-{2-[(E)-(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-{2-[(E)-(2-{[(4-méthylphényl)sulfonyl]amino}benzylidène)amino]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-[2-[(E)-[[2-[[(4-methylphenyl)sulfonyl]amino]phenyl]imino]methyl]phenyl]- [ACD/Index Name]
219832-49-2 [RN]
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide
4-methyl-N-{2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide
MP A08
MPA08
MP-A08
  • Miscellaneous

    • Chemical Class:

      A sulfonamide that consists of two moieties of 4-methyl-N-phenylbenzenesulfonamide connected to each other at position 2 by an aldimine linker. It is a ATP-competitive inhibitor of sphingosine kinase that targets both SK1 and SK2 (Ki values of 27 muM and 6.9 muM, respectively) and exhibits anti-cancer properties. ChEBI CHEBI:167665

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2738.88
ACD/KOC (pH 5.5): 10036.21
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 1988.98
ACD/KOC (pH 7.4): 7288.34
Polar Surface Area: 121 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 405.6±7.0 cm3

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