N-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-sulfamoylbutanamide

• ChemBase ID: 585147
• Molecular Formular: C12H14FN3O4S
• Molecular Mass: 315.3206632
• Monoisotopic Mass: 315.06890516
• SMILES: C1(=O)Nc2c(C1NC(=O)CCCS(=O)(=O)N)cc(cc2)F
• Canonical SMILES: O=C(NC1C(=O)Nc2c1cc(F)cc2)CCCS(=O)(=O)N
• InChI: InChI=1S/C12H14FN3O4S/c13-7-3-4-9-8(6-7)11(12(18)15-9)16-10(17)2-1-5-21(14,19)20/h3-4,6,11H,1-2,5H2,(H,15,18)(H,16,17)(H2,14,19,20)
• InChIKey: GWZFMCDIQISTRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-sulfamoylbutanamide
• IUPAC Traditional name: N-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-4-sulfamoylbutanamide
• Synonyms: 4-(aminosulfonyl)-N-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.808663
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.94450074
• LogD (pH = 7.4): -0.9446491
• Log P: -0.94449884
• Molar Refractivity: 73.3268 cm^3
• Polarizability: 28.25978 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.1
• LOG S: -2.72
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 5