6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 256156
• Molecular Formular: C5H8N4O2S
• Molecular Mass: 188.20762
• Monoisotopic Mass: 188.03679652
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)N
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N
• InChI: InChI=1S/C5H8N4O2S/c6-9-5-2-1-4(3-8-5)12(7,10)11/h1-3H,6H2,(H,8,9)(H2,7,10,11)
• InChIKey: LODFJZCIJKBHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-hydrazinylpyridine-3-sulfonamide
• Synonyms: 6-hydrazinopyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD08690714
• PubChem SID: 164312066
• PubChem CID: 12096590

CALCULATED PROPERTIES

• Acid pKa: 10.214761
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.679574
• LogD (pH = 7.4): -0.6532437
• Log P: -0.6522957
• Molar Refractivity: 46.0792 cm^3
• Polarizability: 17.374296 Å^3
• Polar Surface Area: 111.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): -0.268

Product Information

• Purity: 95%