1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone

C14H18Cl2N2O3S — CID 8904112

IUPAC1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-11(19)18-6-4-17(5-7-18)8-9-22(20,21)14-10-12(15)2-3-13(14)16/h2-3,10H,4-9H2,1H3
InChIKeyDXCZVJAVZQTZPN-UHFFFAOYSA-N
MW365.28 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone

1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone (PubChem CID 8904112) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone
PubChem CID8904112
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-11(19)18-6-4-17(5-7-18)8-9-22(20,21)14-10-12(15)2-3-13(14)16/h2-3,10H,4-9H2,1H3
InChIKeyDXCZVJAVZQTZPN-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone (CID 8904112) is 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone?
The InChIKey is DXCZVJAVZQTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-11(19)18-6-4-17(5-7-18)8-9-22(20,21)14-10-12(15)2-3-13(14)16/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone?
1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone has a molecular weight of 365.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 8904112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).