N-cyclopentyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 256154
• Molecular Formular: C10H16N4O2S
• Molecular Mass: 256.32464
• Monoisotopic Mass: 256.09939677
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC1CCCC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C10H16N4O2S/c11-13-10-6-5-9(7-12-10)17(15,16)14-8-3-1-2-4-8/h5-8,14H,1-4,11H2,(H,12,13)
• InChIKey: RYYWCZJCUNZWCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09044271
• PubChem SID: 164312064
• PubChem CID: 16771961

CALCULATED PROPERTIES

• Acid pKa: 10.152472
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.8993975
• LogD (pH = 7.4): 0.92505085
• Log P: 0.92608225
• Molar Refractivity: 67.3891 cm^3
• Polarizability: 25.793211 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 2.0

Product Information

• Purity: 95%