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

C18H22N2O2S — CID 703908

IUPAC1-benzyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyAVLMRGRKHPZMGH-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.50
Rot. Bonds4

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

1-benzyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 703908) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID703908
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-benzyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyAVLMRGRKHPZMGH-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine (CID 703908) is 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is AVLMRGRKHPZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine?
1-benzyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 703908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).