N-cyclooctyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 276190
• Molecular Formular: C13H22N4O2S
• Molecular Mass: 298.40438
• Monoisotopic Mass: 298.14634696
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC1CCCCCCC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC1CCCCCCC1
• InChI: InChI=1S/C13H22N4O2S/c14-16-13-9-8-12(10-15-13)20(18,19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7,14H2,(H,15,16)
• InChIKey: VCIAMGXUTMFFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13365807
• PubChem SID: 164332100
• PubChem CID: 29267736

CALCULATED PROPERTIES

• Acid pKa: 10.152472
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.2331035
• LogD (pH = 7.4): 2.2587569
• Log P: 2.2597883
• Molar Refractivity: 81.1921 cm^3
• Polarizability: 31.293018 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): 3.804

Product Information

• Purity: 95%