8-fluoroquinoline-5-sulfonamide

• ChemBase ID: 265720
• Molecular Formular: C9H7FN2O2S
• Molecular Mass: 226.2274832
• Monoisotopic Mass: 226.02122669
• SMILES: S(=O)(=O)(c1c2c(nccc2)c(cc1)F)N
• Canonical SMILES: Fc1ccc(c2c1nccc2)S(=O)(=O)N
• InChI: InChI=1S/C9H7FN2O2S/c10-7-3-4-8(15(11,13)14)6-2-1-5-12-9(6)7/h1-5H,(H2,11,13,14)
• InChIKey: BNDREWHONMHJGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroquinoline-5-sulfonamide
• IUPAC Traditional name: 8-fluoroquinoline-5-sulfonamide
• Synonyms: 8-fluoroquinoline-5-sulfonamide

Database IDs

• MDL Number: MFCD11639142
• PubChem SID: 164321630
• PubChem CID: 37479572

CALCULATED PROPERTIES

• Acid pKa: 9.581234
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8796009
• LogD (pH = 7.4): 0.8771075
• Log P: 0.8796332
• Molar Refractivity: 52.3536 cm^3
• Polarizability: 21.918205 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C
• Hydrophobicity(logP): 1.101

Product Information

• Purity: 95%