4-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-4-oxobutane-1-sulfonamide

• ChemBase ID: 473758
• Molecular Formular: C17H23N3O4S
• Molecular Mass: 365.44722
• Monoisotopic Mass: 365.14092723
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)CCCS(=O)(=O)N)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)c1ccccc1N(C2=O)C)CCCS(=O)(=O)N
• InChI: InChI=1S/C17H23N3O4S/c1-19-14-6-3-2-5-13(14)17(16(19)22)8-10-20(11-9-17)15(21)7-4-12-25(18,23)24/h2-3,5-6H,4,7-12H2,1H3,(H2,18,23,24)
• InChIKey: KVFXXVPKMBLIPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-4-oxobutane-1-sulfonamide
• IUPAC Traditional name: 4-{1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl}-4-oxobutane-1-sulfonamide
• Synonyms: 4-(1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-4-oxobutane-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.65094286
• LogD (pH = 7.4): -0.6509617
• Log P: -0.65094244
• Molar Refractivity: 93.6584 cm^3
• Polarizability: 36.90197 Å^3
• Polar Surface Area: 100.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -2.28
• Polar Surface Area: 100.78 Å^2
• Rotatable Bonds: 4