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

• ChemBase ID: 256255
• Molecular Formular: C8H14N4O2S
• Molecular Mass: 230.28736
• Monoisotopic Mass: 230.08374671
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC(C)C
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC(C)C
• InChI: InChI=1S/C8H14N4O2S/c1-6(2)12-15(13,14)7-3-4-8(11-9)10-5-7/h3-6,12H,9H2,1-2H3,(H,10,11)
• InChIKey: NVPVYARBMLFGRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09049797
• PubChem SID: 164312165
• PubChem CID: 16777344

CALCULATED PROPERTIES

• Acid pKa: 10.154211
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.31807107
• LogD (pH = 7.4): 0.34373456
• Log P: 0.34476334
• Molar Refractivity: 60.1433 cm^3
• Polarizability: 22.84711 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.366

Product Information

• Purity: 95%