N-tert-butyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase ID: 256153
• Molecular Formular: C9H16N4O2S
• Molecular Mass: 244.31394
• Monoisotopic Mass: 244.09939677
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC(C)(C)C
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC(C)(C)C
• InChI: InChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)7-4-5-8(12-10)11-6-7/h4-6,13H,10H2,1-3H3,(H,11,12)
• InChIKey: LQOXAYWRWICCEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-6-hydrazinylpyridine-3-sulfonamide
• IUPAC Traditional name: N-tert-butyl-6-hydrazinylpyridine-3-sulfonamide
• Synonyms: N-(tert-butyl)-6-hydrazinopyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09050244
• PubChem SID: 164312063
• PubChem CID: 16777776

CALCULATED PROPERTIES

• Acid pKa: 10.144811
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.5987081
• LogD (pH = 7.4): 0.62429714
• Log P: 0.62534
• Molar Refractivity: 64.7815 cm^3
• Polarizability: 24.67701 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 1.765

Product Information

• Purity: 95%