1-(4-methylphenyl)sulfonylpiperazine

C11H16N2O2S — CID 704295

IUPAC1-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyVHFDYFUMWJSVCA-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.59
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpiperazine

1-(4-methylphenyl)sulfonylpiperazine (PubChem CID 704295) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpiperazine
PubChem CID704295
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyVHFDYFUMWJSVCA-UHFFFAOYSA-N
XLogP0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonylpiperazine (CID 704295) is 1-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is VHFDYFUMWJSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpiperazine?
1-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 240.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 704295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).