4-ethylpiperazine-1-sulfonyl chloride

• ChemBase ID: 307964
• Molecular Formular: C6H13ClN2O2S
• Molecular Mass: 212.69762
• Monoisotopic Mass: 212.03862635
• SMILES: S(=O)(=O)(N1CCN(CC1)CC)Cl
• Canonical SMILES: CCN1CCN(CC1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H13ClN2O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3
• InChIKey: PGJGEPQKJHQLQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperazine-1-sulfonyl chloride
• IUPAC Traditional name: 4-ethylpiperazine-1-sulfonyl chloride
• Synonyms: 4-ethyl-1-piperazinesulfonyl chloride

Database IDs

• CAS Number: 273207-02-6
• MDL Number: MFCD09727808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38302952
• LogD (pH = 7.4): -0.0074344557
• Log P: 2.4800634E-4
• Molar Refractivity: 49.47 cm^3
• Polarizability: 19.891504 Å^3
• Polar Surface Area: 40.62 Å^2