N,N-diethyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 232670
• Molecular Formular: C9H16N4O2S
• Molecular Mass: 244.31394
• Monoisotopic Mass: 244.09939677
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(nc1)NN)CC
• InChI: InChI=1S/C9H16N4O2S/c1-3-13(4-2)16(14,15)8-5-6-9(12-10)11-7-8/h5-7H,3-4,10H2,1-2H3,(H,11,12)
• InChIKey: ONANFVOQDHHSGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04618154
• PubChem SID: 164288580
• PubChem CID: 3863748

CALCULATED PROPERTIES

• Acid pKa: 18.848965
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.48244864
• LogD (pH = 7.4): 0.508332
• Log P: 0.50867236
• Molar Refractivity: 65.3698 cm^3
• Polarizability: 24.676888 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 1.227

Product Information

• Purity: 95%