6-aminopyridine-3-sulfonamide

• ChemBase ID: 114785
• Molecular Formular: C5H7N3O2S
• Molecular Mass: 173.19298
• Monoisotopic Mass: 173.02589748
• SMILES: S(=O)(=O)(c1cnc(cc1)N)N
• Canonical SMILES: Nc1ccc(cn1)S(=O)(=O)N
• InChI: InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10)
• InChIKey: VXPQZDZQAWMEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-3-sulfonamide
• IUPAC Traditional name: 6-aminopyridine-3-sulfonamide
• Synonyms: 6-Amino-pyridine-3-sulfonic acid amide; 6-aminopyridine-3-sulfonamide

Database IDs

• CAS Number: 57187-73-2
• MDL Number: MFCD07440120
• PubChem SID: 162100249
• PubChem CID: 459534

CALCULATED PROPERTIES

• Polarizability: 15.942679 Å^3
• Polar Surface Area: 99.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 10.312256
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.87354213
• LogD (pH = 7.4): -0.8733434
• Log P: -0.87286425
• Molar Refractivity: 41.0729 cm^3

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Partition Coefficient: -1.166
• Hydrophobicity(logP): -0.573

Product Information

• Purity: 95%; 95+%