4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one

C12H15ClN2O3S — CID 31372574

IUPAC4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one
SMILESO=C1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C12H15ClN2O3S/c13-10-1-3-11(4-2-10)19(17,18)8-7-15-6-5-14-12(16)9-15/h1-4H,5-9H2,(H,14,16)
InChIKeyJYQCKDQMOVZHAE-UHFFFAOYSA-N
MW302.78 g/mol
LogP0.55
Rot. Bonds4

About 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one

4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one (PubChem CID 31372574) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one
PubChem CID31372574
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one
SMILESO=C1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C12H15ClN2O3S/c13-10-1-3-11(4-2-10)19(17,18)8-7-15-6-5-14-12(16)9-15/h1-4H,5-9H2,(H,14,16)
InChIKeyJYQCKDQMOVZHAE-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one (CID 31372574) is 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one is O=C1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one?
The InChIKey is JYQCKDQMOVZHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-1-3-11(4-2-10)19(17,18)8-7-15-6-5-14-12(16)9-15/h1-4H,5-9H2,(H,14,16).
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one?
4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one has a molecular weight of 302.78 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-2-one is sourced from PubChem (CID 31372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).