4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one

C13H16N2O3S — CID 47064565

IUPAC4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c1-11-2-4-12(5-3-11)6-9-19(17,18)15-8-7-14-13(16)10-15/h2-6,9H,7-8,10H2,1H3,(H,14,16)/b9-6+
InChIKeyXUKIVBSPJLTJSS-RMKNXTFCSA-N
MW280.35 g/mol
LogP0.73
Rot. Bonds3

About 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one

4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one (PubChem CID 47064565) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
PubChem CID47064565
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c1-11-2-4-12(5-3-11)6-9-19(17,18)15-8-7-14-13(16)10-15/h2-6,9H,7-8,10H2,1H3,(H,14,16)/b9-6+
InChIKeyXUKIVBSPJLTJSS-RMKNXTFCSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one (CID 47064565) is 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one is Cc1ccc(/C=C/S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one?
The InChIKey is XUKIVBSPJLTJSS-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-11-2-4-12(5-3-11)6-9-19(17,18)15-8-7-14-13(16)10-15/h2-6,9H,7-8,10H2,1H3,(H,14,16)/b9-6+.
What are the key properties of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one?
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one has a molecular weight of 280.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 47064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).