1,4-bis(benzenesulfonyl)piperazine

• ChemBase ID: 110500
• Molecular Formular: C16H18N2O4S2
• Molecular Mass: 366.45512
• Monoisotopic Mass: 366.07079907
• SMILES: O=S(=O)(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2
• InChIKey: JUQZKAOPUODWFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(benzenesulfonyl)piperazine
• IUPAC Traditional name: 1,4-bis(benzenesulfonyl)piperazine
• Synonyms: N,N'-bis(BENZENESULFONYL)PIPERAZINE

Database IDs

• CAS Number: 7250-99-9
• PubChem SID: 162096488
• PubChem CID: 227663

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7102076
• LogD (pH = 7.4): 1.7102076
• Log P: 1.7102076
• Molar Refractivity: 92.0806 cm^3
• Polarizability: 37.141666 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215281

MP Biomedicals Rare Chemical collection