1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

C18H23N3O2S — CID 2810705

IUPAC1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-16-5-7-17(8-6-16)24(22,23)15-14-20-10-12-21(13-11-20)18-4-2-3-9-19-18/h2-9H,10-15H2,1H3
InChIKeySYXBZXIBLPRJPY-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.99
Rot. Bonds5

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

1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (PubChem CID 2810705) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
PubChem CID2810705
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-16-5-7-17(8-6-16)24(22,23)15-14-20-10-12-21(13-11-20)18-4-2-3-9-19-18/h2-9H,10-15H2,1H3
InChIKeySYXBZXIBLPRJPY-UHFFFAOYSA-N
XLogP1.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (CID 2810705) is 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is Cc1ccc(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is SYXBZXIBLPRJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-16-5-7-17(8-6-16)24(22,23)15-14-20-10-12-21(13-11-20)18-4-2-3-9-19-18/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 345.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2810705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).