1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H22N2O2S — CID 740953

IUPAC1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyRMVJTBYILZMIFQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 740953) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID740953
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyRMVJTBYILZMIFQ-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 740953) is 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is RMVJTBYILZMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 740953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).