ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate

C14H18Cl2N2O4S — CID 3814856

IUPACethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyHSSKKZDDGITCEA-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate

ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 3814856) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID3814856
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Nameethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyHSSKKZDDGITCEA-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate (CID 3814856) is ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate is CCOC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is HSSKKZDDGITCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 381.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 3814856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).