piperazine-1,4-disulfonamide

• ChemBase ID: 798969
• Molecular Formular: C4H12N4O4S2
• Molecular Mass: 244.29248
• Monoisotopic Mass: 244.02999688
• SMILES: C1CN(CCN1S(=O)(=O)N)S(=O)(=O)N
• Canonical SMILES: NS(=O)(=O)N1CCN(CC1)S(=O)(=O)N
• InChI: InChI=1S/C4H12N4O4S2/c5-13(9,10)7-1-2-8(4-3-7)14(6,11)12/h1-4H2,(H2,5,9,10)(H2,6,11,12)
• InChIKey: JJZWVHQZISSTRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1,4-disulfonamide
• IUPAC Traditional name: piperazine-1,4-disulfonamide
• Synonyms: piperazine-1,4-disulfonamide

CALCULATED PROPERTIES

• Acid pKa: 11.1168165
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.4309561
• LogD (pH = 7.4): -3.4310274
• Log P: -3.4309535
• Molar Refractivity: 49.332 cm^3
• Polarizability: 21.317184 Å^3
• Polar Surface Area: 126.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%