6-hydrazinyl-N-(pyridin-2-yl)pyridine-3-sulfonamide

• ChemBase ID: 256155
• Molecular Formular: C10H11N5O2S
• Molecular Mass: 265.29164
• Monoisotopic Mass: 265.06334562
• SMILES: S(=O)(=O)(Nc1ncccc1)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)Nc1ccccn1
• InChI: InChI=1S/C10H11N5O2S/c11-14-9-5-4-8(7-13-9)18(16,17)15-10-3-1-2-6-12-10/h1-7H,11H2,(H,12,15)(H,13,14)
• InChIKey: ISHOIIZDYCEMMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinyl-N-(pyridin-2-yl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-hydrazinyl-N-(pyridin-2-yl)pyridine-3-sulfonamide
• Synonyms: 6-hydrazino-N-pyridin-2-ylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09043099
• PubChem SID: 164312065
• PubChem CID: 16770809

CALCULATED PROPERTIES

• Acid pKa: 6.582896
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.5397935
• LogD (pH = 7.4): -0.037296597
• Log P: 0.6061239
• Molar Refractivity: 68.9101 cm^3
• Polarizability: 26.013765 Å^3
• Polar Surface Area: 110.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 0.748

Product Information

• Purity: 95%