2-methoxy-N-[2-(pyridin-3-yloxy)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 653061
• Molecular Formular: C16H19N3O5S
• Molecular Mass: 365.40416
• Monoisotopic Mass: 365.10454172
• SMILES: S(=O)(=O)(c1cc(C(=O)NCC(Oc2cnccc2)C)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)NCC(Oc1cccnc1)C)S(=O)(=O)N
• InChI: InChI=1S/C16H19N3O5S/c1-11(24-12-4-3-7-18-10-12)9-19-16(20)14-8-13(25(17,21)22)5-6-15(14)23-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)(H2,17,21,22)
• InChIKey: QWGNDYBFWCTCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(pyridin-3-yloxy)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-methoxy-N-[2-(pyridin-3-yloxy)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-methoxy-N-[2-(pyridin-3-yloxy)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.233386
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.271045
• LogD (pH = 7.4): 0.33736843
• Log P: 0.3388739
• Molar Refractivity: 91.4683 cm^3
• Polarizability: 35.93846 Å^3
• Polar Surface Area: 120.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.89
• LOG S: -2.62
• Polar Surface Area: 120.61 Å^2
• Rotatable Bonds: 7