1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C18H19ClN2O2S — CID 2138975

IUPAC1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN2O2S/c19-17-7-4-8-18(15-17)20-10-12-21(13-11-20)24(22,23)14-9-16-5-2-1-3-6-16/h1-9,14-15H,10-13H2/b14-9+
InChIKeyJFZRXJSPFDMTIE-NTEUORMPSA-N
MW362.88 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 2138975) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID2138975
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN2O2S/c19-17-7-4-8-18(15-17)20-10-12-21(13-11-20)24(22,23)14-9-16-5-2-1-3-6-16/h1-9,14-15H,10-13H2/b14-9+
InChIKeyJFZRXJSPFDMTIE-NTEUORMPSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 2138975) is 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is O=S(=O)(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is JFZRXJSPFDMTIE-NTEUORMPSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-17-7-4-8-18(15-17)20-10-12-21(13-11-20)24(22,23)14-9-16-5-2-1-3-6-16/h1-9,14-15H,10-13H2/b14-9+.
What are the key properties of 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 362.88 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 2138975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).