4-methoxy-N-{[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl}benzene-1-sulfonamide

• ChemBase ID: 773708
• Molecular Formular: C19H24N4O4S
• Molecular Mass: 404.48326
• Monoisotopic Mass: 404.15182627
• SMILES: S(=O)(=O)(NCC1CN(C(=O)c2ncc(nc2)C)CCC1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)NCC1CCCN(C1)C(=O)c1cnc(cn1)C
• InChI: InChI=1S/C19H24N4O4S/c1-14-10-21-18(12-20-14)19(24)23-9-3-4-15(13-23)11-22-28(25,26)17-7-5-16(27-2)6-8-17/h5-8,10,12,15,22H,3-4,9,11,13H2,1-2H3
• InChIKey: RFZNMWCCNBNPLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-{[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl}benzene-1-sulfonamide
• IUPAC Traditional name: 4-methoxy-N-{[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl}benzenesulfonamide
• Synonyms: 4-methoxy-N-({1-[(5-methyl-2-pyrazinyl)carbonyl]-3-piperidinyl}methyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.452609
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.33718362
• LogD (pH = 7.4): 0.33684868
• Log P: 0.3371894
• Molar Refractivity: 104.5935 cm^3
• Polarizability: 40.907875 Å^3
• Polar Surface Area: 101.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.74
• LOG S: -3.66
• Polar Surface Area: 101.49 Å^2
• Rotatable Bonds: 4