5,6-diaminopyridine-3-sulfonamide

• ChemBase ID: 264542
• Molecular Formular: C5H8N4O2S
• Molecular Mass: 188.20762
• Monoisotopic Mass: 188.03679652
• SMILES: S(=O)(=O)(c1cc(c(nc1)N)N)N
• Canonical SMILES: Nc1ncc(cc1N)S(=O)(=O)N
• InChI: InChI=1S/C5H8N4O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,6H2,(H2,7,9)(H2,8,10,11)
• InChIKey: ZAVFTRYEIVJSFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-diaminopyridine-3-sulfonamide
• IUPAC Traditional name: 5,6-diaminopyridine-3-sulfonamide
• Synonyms: 5,6-diaminopyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09754123
• PubChem SID: 164320452
• PubChem CID: 24271760

CALCULATED PROPERTIES

• Acid pKa: 10.374162
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.7033185
• LogD (pH = 7.4): -1.7022177
• Log P: -1.7017902
• Molar Refractivity: 45.7733 cm^3
• Polarizability: 17.114134 Å^3
• Polar Surface Area: 125.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.485

Product Information

• Purity: 95%