ChemSpider 2D Image | 3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzenesulfonamide | C17H14ClN5O4S

3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzenesulfonamide

  • Molecular FormulaC17H14ClN5O4S
  • Average mass419.842 Da
  • Monoisotopic mass419.045502 Da
  • ChemSpider ID23315061

More details:






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

3-({4-[(5-Chlor-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzenesulfonamide [ACD/IUPAC Name]
3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
Benzenesulfonamide, 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
3-({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
3-({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)benzenesulfonamide
7X4
945393-78-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 649.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 38.53
ACD/KOC (pH 5.5): 451.77
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.76
ACD/KOC (pH 7.4): 536.53
Polar Surface Area: 137 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 85.0±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

Click to predict properties on the Chemicalize site






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