ChemSpider 2D Image | 4-({(Z)-[1-(4-Chloro-3-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide | C22H21ClN6O4S2

4-({(Z)-[1-(4-Chloro-3-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

  • Molecular FormulaC22H21ClN6O4S2
  • Average mass533.023 Da
  • Monoisotopic mass532.075439 Da
  • ChemSpider ID10016439

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({(Z)-[1-(4-Chlor-3-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-({(Z)-[1-(4-Chloro-3-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide [ACD/IUPAC Name]
4-({(Z)-[1-(4-Chloro-3-méthoxyphényl)-3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène]méthyl}amino)-N-(5-éthyl-1,3,4-thiadiazol-2-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(Z)-[1-(4-chloro-3-methoxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
4-[[(Z)-[1-(4-chloro-3-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
667907-38-2 [RN]
MolPort-019-790-879
SZDILFPMAGGGBT-ATVHPVEESA-N

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

AP-970/41850895 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 696.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.0±3.0 kJ/mol
    Flash Point: 375.1±34.3 °C
    Index of Refraction: 1.706
    Molar Refractivity: 136.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 3.88
    ACD/KOC (pH 5.5): 29.57
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 2.34
    ACD/KOC (pH 7.4): 17.83
    Polar Surface Area: 163 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 60.0±7.0 dyne/cm
    Molar Volume: 351.9±7.0 cm3

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