6-amino-5-methylpyridine-3-sulfonamide

• ChemBase ID: 275839
• Molecular Formular: C6H9N3O2S
• Molecular Mass: 187.21956
• Monoisotopic Mass: 187.04154754
• SMILES: S(=O)(=O)(c1cc(c(nc1)N)C)N
• Canonical SMILES: Nc1ncc(cc1C)S(=O)(=O)N
• InChI: InChI=1S/C6H9N3O2S/c1-4-2-5(12(8,10)11)3-9-6(4)7/h2-3H,1H3,(H2,7,9)(H2,8,10,11)
• InChIKey: ROPQEOZKSJQEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5-methylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-5-methylpyridine-3-sulfonamide
• Synonyms: 6-amino-5-methylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD01928224
• PubChem SID: 164331749
• PubChem CID: 901945

CALCULATED PROPERTIES

• Acid pKa: 10.358341
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.36142668
• LogD (pH = 7.4): -0.35989136
• Log P: -0.3594429
• Molar Refractivity: 46.1141 cm^3
• Polarizability: 17.692125 Å^3
• Polar Surface Area: 99.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.124

Product Information

• Purity: 95%