1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine

C19H24N2O2S — CID 674306

IUPAC1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-17-7-9-19(10-8-17)24(22,23)16-15-20-11-13-21(14-12-20)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyXNXUCERPIWMKNF-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine

1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine (PubChem CID 674306) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine
PubChem CID674306
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-17-7-9-19(10-8-17)24(22,23)16-15-20-11-13-21(14-12-20)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyXNXUCERPIWMKNF-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine (CID 674306) is 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine is Cc1ccc(S(=O)(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine?
The InChIKey is XNXUCERPIWMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-17-7-9-19(10-8-17)24(22,23)16-15-20-11-13-21(14-12-20)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine?
1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperazine is sourced from PubChem (CID 674306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).