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

C18H20N2O2S — CID 877216

IUPAC1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2/b16-11+
InChIKeyXYBCMZZRRSHDFP-LFIBNONCSA-N
MW328.44 g/mol
LogP2.81
Rot. Bonds4

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

1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 877216) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID877216
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2/b16-11+
InChIKeyXYBCMZZRRSHDFP-LFIBNONCSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 877216) is 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is XYBCMZZRRSHDFP-LFIBNONCSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2/b16-11+.
What are the key properties of 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 328.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 877216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).