N-(1H-indazol-6-yl)-2,3-dihydro-1H-indene-5-sulfonamide

• ChemBase ID: 285779
• Molecular Formular: C16H15N3O2S
• Molecular Mass: 313.3742
• Monoisotopic Mass: 313.08849774
• SMILES: S(=O)(=O)(Nc1cc2[nH]ncc2cc1)c1cc2c(cc1)CCC2
• Canonical SMILES: O=S(=O)(c1ccc2c(c1)CCC2)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C16H15N3O2S/c20-22(21,15-7-5-11-2-1-3-12(11)8-15)19-14-6-4-13-10-17-18-16(13)9-14/h4-10,19H,1-3H2,(H,17,18)
• InChIKey: BHGSMBVSKPQFKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)-2,3-dihydro-1H-indene-5-sulfonamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)-2,3-dihydro-1H-indene-5-sulfonamide
• Synonyms: N-(1H-indazol-6-yl)-2,3-dihydro-1H-indene-5-sulfonamide

Database IDs

• MDL Number: MFCD07852685
• PubChem SID: 180671310
• PubChem CID: 16290620

CALCULATED PROPERTIES

• Acid pKa: 7.843095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7898905
• LogD (pH = 7.4): 2.6754568
• Log P: 2.7916584
• Molar Refractivity: 85.7865 cm^3
• Polarizability: 34.130825 Å^3
• Polar Surface Area: 74.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 3.522

Product Information

• Purity: 95%