ChemSpider 2D Image | N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2,6-difluorobenzenesulfonamide | C19H18F2N2O2S

N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2,6-difluorobenzenesulfonamide

  • Molecular FormulaC19H18F2N2O2S
  • Average mass376.420 Da
  • Monoisotopic mass376.105713 Da
  • ChemSpider ID30677513

More details:

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

Benzenesulfonamide, N-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2,6-difluoro- [ACD/Index Name]
N-[4-(3,4-Dihydro-2(1H)-isochinolinyl)-2-butin-1-yl]-2,6-difluorbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[4-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-butyn-1-yl]-2,6-difluorobenzènesulfonamide [French] [ACD/IUPAC Name]
N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2,6-difluorobenzenesulfonamide [ACD/IUPAC Name]
1351658-03-1 [RN]
2,6-difluoro-N-[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-2-yn-1-yl]benzene-1-sulfonamide
N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)-2,6-difluorobenzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.9±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 49.08
ACD/KOC (pH 5.5): 351.09
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 216.52
ACD/KOC (pH 7.4): 1548.94
Polar Surface Area: 58 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 284.6±3.0 cm3

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