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Search term: DPOHKNPOBZVTBK-NSHDSACASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(3S)-3-Pyrrolidinyl]-5-isoquinolinesulfonamide | C13H15N3O2S

N-[(3S)-3-Pyrrolidinyl]-5-isoquinolinesulfonamide

  • Molecular FormulaC13H15N3O2S
  • Average mass277.342 Da
  • Monoisotopic mass277.088501 Da
  • ChemSpider ID23009810

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Isoquinolinesulfonamide, N-[(3S)-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3S)-3-Pyrrolidinyl]-5-isochinolinsulfonamid [German] [ACD/IUPAC Name]
N-[(3S)-3-Pyrrolidinyl]-5-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[(3S)-3-Pyrrolidinyl]-5-isoquinolinesulfonamide [ACD/IUPAC Name]
(S)-Isoquinoline-5-sulfonic acid pyrrolidin-3-ylamine
936233-15-7 [RN]
936319-06-1 [RN]
MFCD09834610

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.7±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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