N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)morpholine-4-sulfonamide

• ChemBase ID: 625211
• Molecular Formular: C16H20N4O4S
• Molecular Mass: 364.4194
• Monoisotopic Mass: 364.12052614
• SMILES: S(=O)(=O)(N1CCOCC1)NCc1c(Oc2cnc(cc2)C)nccc1
• Canonical SMILES: Cc1ccc(cn1)Oc1ncccc1CNS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C16H20N4O4S/c1-13-4-5-15(12-18-13)24-16-14(3-2-6-17-16)11-19-25(21,22)20-7-9-23-10-8-20/h2-6,12,19H,7-11H2,1H3
• InChIKey: YJICEMNJXJZGAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)morpholine-4-sulfonamide
• IUPAC Traditional name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)morpholine-4-sulfonamide
• Synonyms: N-({2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl}methyl)-4-morpholinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.990147
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.16052647
• LogD (pH = 7.4): -0.02657036
• Log P: -0.023533026
• Molar Refractivity: 92.0508 cm^3
• Polarizability: 36.688076 Å^3
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.8
• LOG S: -4.01
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 4