4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione

C12H11ClN2O4S — CID 77111427

IUPAC4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC(=O)N1
InChIInChI=1S/C12H11ClN2O4S/c13-10-3-1-9(2-4-10)5-6-20(18,19)15-7-11(16)14-12(17)8-15/h1-6H,7-8H2,(H,14,16,17)
InChIKeyRANOHWVWKQSBLO-UHFFFAOYSA-N
MW314.75 g/mol
LogP0.60
Rot. Bonds3

About 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione

4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione (PubChem CID 77111427) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
PubChem CID77111427
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC(=O)N1
InChIInChI=1S/C12H11ClN2O4S/c13-10-3-1-9(2-4-10)5-6-20(18,19)15-7-11(16)14-12(17)8-15/h1-6H,7-8H2,(H,14,16,17)
InChIKeyRANOHWVWKQSBLO-UHFFFAOYSA-N
XLogP0.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-chlorophenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111374
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
CID 2524566
1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
CID 78687053
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
4-[3-(4-chlorophenyl)prop-2-enoyl]-3,3-dimethylpiperazine-2,6-dione
CID 77112081
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
CID 126478456
1-[2-(4-chlorophenyl)ethenylsulfonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 77024933
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680781
(3S)-3-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818294
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione (CID 77111427) is 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione is O=C1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC(=O)N1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione?
The InChIKey is RANOHWVWKQSBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c13-10-3-1-9(2-4-10)5-6-20(18,19)15-7-11(16)14-12(17)8-15/h1-6H,7-8H2,(H,14,16,17).
What are the key properties of 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione?
4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione has a molecular weight of 314.75 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 77111427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).