N-cyclopropyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 256150
• Molecular Formular: C8H12N4O2S
• Molecular Mass: 228.27148
• Monoisotopic Mass: 228.06809664
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC1CC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC1CC1
• InChI: InChI=1S/C8H12N4O2S/c9-11-8-4-3-7(5-10-8)15(13,14)12-6-1-2-6/h3-6,12H,1-2,9H2,(H,10,11)
• InChIKey: FUYUCNUEEJETTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09047525
• PubChem SID: 164312060
• PubChem CID: 16775101

CALCULATED PROPERTIES

• Acid pKa: 10.152466
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.010260177
• LogD (pH = 7.4): 0.035913493
• Log P: 0.0369449
• Molar Refractivity: 58.1871 cm^3
• Polarizability: 22.135855 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 0.882

Product Information

• Purity: 95%