1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

C17H19Cl2N3O2S — CID 2810708

IUPAC1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O2S/c18-14-4-5-16(15(19)13-14)25(23,24)12-11-21-7-9-22(10-8-21)17-3-1-2-6-20-17/h1-6,13H,7-12H2
InChIKeyPJMDRZUZWJWLJO-UHFFFAOYSA-N
MW400.33 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (PubChem CID 2810708) has the molecular formula C17H19Cl2N3O2S and a molecular weight of 400.33 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
PubChem CID2810708
Molecular FormulaC17H19Cl2N3O2S
Molecular Weight400.33 g/mol
Exact Mass399.06
IUPAC Name1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O2S/c18-14-4-5-16(15(19)13-14)25(23,24)12-11-21-7-9-22(10-8-21)17-3-1-2-6-20-17/h1-6,13H,7-12H2
InChIKeyPJMDRZUZWJWLJO-UHFFFAOYSA-N
XLogP2.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (CID 2810708) is 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is PJMDRZUZWJWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2S/c18-14-4-5-16(15(19)13-14)25(23,24)12-11-21-7-9-22(10-8-21)17-3-1-2-6-20-17/h1-6,13H,7-12H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 400.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).