N-(furan-2-ylmethyl)-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 256198
• Molecular Formular: C10H12N4O3S
• Molecular Mass: 268.29228
• Monoisotopic Mass: 268.06301126
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NCc1occc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NCc1ccco1
• InChI: InChI=1S/C10H12N4O3S/c11-14-10-4-3-9(7-12-10)18(15,16)13-6-8-2-1-5-17-8/h1-5,7,13H,6,11H2,(H,12,14)
• InChIKey: DCZXBMYVADHOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-6-hydrazinylpyridine-3-sulfonamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-6-hydrazinylpyridine-3-sulfonamide
• Synonyms: N-(2-furylmethyl)-6-hydrazinopyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09047439
• PubChem SID: 164312108
• PubChem CID: 16775020

CALCULATED PROPERTIES

• Acid pKa: 10.141763
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.3294624
• LogD (pH = 7.4): 0.3550523
• Log P: 0.3561001
• Molar Refractivity: 67.9794 cm^3
• Polarizability: 25.659792 Å^3
• Polar Surface Area: 110.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.472

Product Information

• Purity: 95%