1-(4-chlorobenzenesulfonyl)piperazine hydrochloride

• ChemBase ID: 124741
• Molecular Formular: C10H14Cl2N2O2S
• Molecular Mass: 297.20136
• Monoisotopic Mass: 296.01530406
• SMILES: S(=O)(=O)(N1CCNCC1)c1ccc(cc1)Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)S(=O)(=O)N1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2O2S.ClH/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
• InChIKey: FQIBIZFAUBOJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorobenzenesulfonyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(4-chlorobenzenesulfonyl)piperazine hydrochloride
• Synonyms: 1-((4-chlorophenyl)sulfonyl)piperazine hydrochloride

Database IDs

• PubChem SID: 162219094
• PubChem CID: 46743458

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.56689966
• LogD (pH = 7.4): 0.8961543
• Log P: 1.094745
• Molar Refractivity: 63.5695 cm^3
• Polarizability: 25.684599 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl