1-(propan-2-yl)-1H-indazole-5-sulfonamide

• ChemBase ID: 239202
• Molecular Formular: C10H13N3O2S
• Molecular Mass: 239.29412
• Monoisotopic Mass: 239.07284767
• SMILES: S(=O)(=O)(c1cc2c(n(nc2)C(C)C)cc1)N
• Canonical SMILES: CC(n1ncc2c1ccc(c2)S(=O)(=O)N)C
• InChI: InChI=1S/C10H13N3O2S/c1-7(2)13-10-4-3-9(16(11,14)15)5-8(10)6-12-13/h3-7H,1-2H3,(H2,11,14,15)
• InChIKey: PTEZORUMFKQJPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-1H-indazole-5-sulfonamide
• IUPAC Traditional name: 1-isopropylindazole-5-sulfonamide
• Synonyms: 1-(propan-2-yl)-1H-indazole-5-sulfonamide

Database IDs

• MDL Number: MFCD22378689
• PubChem SID: 164295112
• PubChem CID: 71756347

CALCULATED PROPERTIES

• Acid pKa: 10.077828
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.799383
• LogD (pH = 7.4): 0.7985905
• Log P: 0.7993975
• Molar Refractivity: 72.6144 cm^3
• Polarizability: 25.359058 Å^3
• Polar Surface Area: 77.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 1.021

Product Information

• Purity: 95%