2-fluoro-N-(1H-indazol-6-yl)benzene-1-sulfonamide

• ChemBase ID: 267015
• Molecular Formular: C13H10FN3O2S
• Molecular Mass: 291.3008032
• Monoisotopic Mass: 291.0477758
• SMILES: S(=O)(=O)(c1c(F)cccc1)Nc1cc2[nH]ncc2cc1
• Canonical SMILES: Fc1ccccc1S(=O)(=O)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C13H10FN3O2S/c14-11-3-1-2-4-13(11)20(18,19)17-10-6-5-9-8-15-16-12(9)7-10/h1-8,17H,(H,15,16)
• InChIKey: NABTVOZZKOYQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(1H-indazol-6-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
• Synonyms: 2-fluoro-N-(1H-indazol-6-yl)benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD06352674
• PubChem SID: 164322925
• PubChem CID: 2445035

CALCULATED PROPERTIES

• Acid pKa: 6.6208777
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8986893
• LogD (pH = 7.4): 1.3075409
• Log P: 1.926675
• Molar Refractivity: 73.1217 cm^3
• Polarizability: 29.168627 Å^3
• Polar Surface Area: 74.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.758

Product Information

• Purity: 95%