N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide

• ChemBase ID: 234212
• Molecular Formular: C13H16N4O2S
• Molecular Mass: 292.35674
• Monoisotopic Mass: 292.09939677
• SMILES: S(=O)(=O)(N(c1ccccc1)CC)c1cnc(NN)cc1
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(nc1)NN)c1ccccc1
• InChI: InChI=1S/C13H16N4O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(16-14)15-10-12/h3-10H,2,14H2,1H3,(H,15,16)
• InChIKey: VTUBMCBPPGZPTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide
• IUPAC Traditional name: N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide
• Synonyms: N-ethyl-6-hydrazino-N-phenylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD05266687
• PubChem SID: 164290122
• PubChem CID: 2095679

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 18.780071
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7846373
• LogD (pH = 7.4): 1.8094964
• Log P: 1.8098228
• Molar Refractivity: 80.3988 cm^3
• Polarizability: 30.54807 Å^3
• Polar Surface Area: 88.32 Å^2

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 2.157

Product Information

• Purity: 95%