6-amino-N-methylpyridine-3-sulfonamide

• ChemBase ID: 114786
• Molecular Formular: C6H9N3O2S
• Molecular Mass: 187.21956
• Monoisotopic Mass: 187.04154754
• SMILES: S(=O)(=O)(c1cnc(cc1)N)NC
• Canonical SMILES: CNS(=O)(=O)c1ccc(nc1)N
• InChI: InChI=1S/C6H9N3O2S/c1-8-12(10,11)5-2-3-6(7)9-4-5/h2-4,8H,1H3,(H2,7,9)
• InChIKey: WHHNEWLNYCKFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-methylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-N-methylpyridine-3-sulfonamide
• Synonyms: 6-Amino-pyridine-3-sulfonic acid methylamide

Database IDs

• CAS Number: 94924-82-0
• MDL Number: MFCD07440121
• PubChem SID: 162099685
• PubChem CID: 7147142

CALCULATED PROPERTIES

• Acid pKa: 10.270514
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.64985275
• LogD (pH = 7.4): -0.64971465
• Log P: -0.6491882
• Molar Refractivity: 45.9696 cm^3
• Polarizability: 17.763464 Å^3
• Polar Surface Area: 85.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.499

Product Information

• Purity: 95+%