1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine

C20H25ClN2O3S — CID 39746922

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(CCN1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c21-18-6-8-20(9-7-18)27(24,25)17-15-23-12-10-22(11-13-23)14-16-26-19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyXYGZENPEUXJZGU-UHFFFAOYSA-N
MW408.95 g/mol
LogP2.81
Rot. Bonds8

About 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine (PubChem CID 39746922) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
PubChem CID39746922
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(CCN1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c21-18-6-8-20(9-7-18)27(24,25)17-15-23-12-10-22(11-13-23)14-16-26-19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyXYGZENPEUXJZGU-UHFFFAOYSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine
CID 55470186
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-benzyl-1-[2-(4-chlorophenoxy)ethyl]-1,4-diazepan-5-one
CID 24733010
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
1-[2-(4-chlorophenyl)sulfonylethyl]-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 37384440
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 55600924
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine (CID 39746922) is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine is O=S(=O)(CCN1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine?
The InChIKey is XYGZENPEUXJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c21-18-6-8-20(9-7-18)27(24,25)17-15-23-12-10-22(11-13-23)14-16-26-19-4-2-1-3-5-19/h1-9H,10-17H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine?
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine has a molecular weight of 408.95 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 39746922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).