1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C19H22N2O2S — CID 882298

IUPAC1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/b16-11+
InChIKeyMKCLLEUTXFVXRL-LFIBNONCSA-N
MW342.46 g/mol
LogP2.80
Rot. Bonds5

About 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 882298) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID882298
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/b16-11+
InChIKeyMKCLLEUTXFVXRL-LFIBNONCSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 882298) is 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is MKCLLEUTXFVXRL-LFIBNONCSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/b16-11+.
What are the key properties of 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 342.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 882298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).