1-(4-hydrazinylbenzenesulfonyl)-4-methylpiperazine

• ChemBase ID: 269303
• Molecular Formular: C11H18N4O2S
• Molecular Mass: 270.35122
• Monoisotopic Mass: 270.11504684
• SMILES: S(=O)(=O)(N1CCN(CC1)C)c1ccc(NN)cc1
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C
• InChI: InChI=1S/C11H18N4O2S/c1-14-6-8-15(9-7-14)18(16,17)11-4-2-10(13-12)3-5-11/h2-5,13H,6-9,12H2,1H3
• InChIKey: JZLVUERPEYFSDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-hydrazinylbenzenesulfonyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(4-hydrazinylbenzenesulfonyl)-4-methylpiperazine
• Synonyms: 1-[(4-hydrazinylbenzene)sulfonyl]-4-methylpiperazine

Database IDs

• MDL Number: MFCD11981326
• PubChem SID: 164325213
• PubChem CID: 19351343

CALCULATED PROPERTIES

• Acid pKa: 18.651411
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5359262
• LogD (pH = 7.4): 0.24350184
• Log P: 0.2653909
• Molar Refractivity: 73.7661 cm^3
• Polarizability: 28.185919 Å^3
• Polar Surface Area: 78.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.507

Product Information

• Purity: 95%