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Search term: FIYSDYINBKMBKY-CQSZACIVSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[({6-[3-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)methyl]benzenesulfonamide | C17H23N5O3S

3-[({6-[3-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)methyl]benzenesulfonamide

  • Molecular FormulaC17H23N5O3S
  • Average mass377.461 Da
  • Monoisotopic mass377.152161 Da
  • ChemSpider ID95540103

More details:

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

3-[({6-[3-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)methyl]benzenesulfonamide [ACD/IUPAC Name]
3-[({6-[3-(Hydroxyméthyl)-1-pipéridinyl]-4-pyrimidinyl}amino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
3-[({6-[3-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[[6-[3-(hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.7±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 67.04
Polar Surface Area: 130 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site


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