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

• ChemBase ID: 234809
• Molecular Formular: C11H20N4O2S
• Molecular Mass: 272.3671
• Monoisotopic Mass: 272.1306969
• SMILES: S(=O)(=O)(N(C(C)C)C(C)C)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C11H20N4O2S/c1-8(2)15(9(3)4)18(16,17)10-5-6-11(14-12)13-7-10/h5-9H,12H2,1-4H3,(H,13,14)
• InChIKey: JMGXAWUTRFIGLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06307703
• PubChem SID: 164290719
• PubChem CID: 2120285

CALCULATED PROPERTIES

• Acid pKa: 18.841852
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3157184
• LogD (pH = 7.4): 1.3414836
• Log P: 1.3418224
• Molar Refractivity: 74.2074 cm^3
• Polarizability: 28.342312 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.845

Product Information

• Purity: 95%