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

C19H22N2O3S — CID 1192954

IUPAC1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/b16-11+
InChIKeyRVMYNLFGNQOCMX-LFIBNONCSA-N
MW358.46 g/mol
LogP2.82
Rot. Bonds5

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

1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 1192954) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID1192954
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/b16-11+
InChIKeyRVMYNLFGNQOCMX-LFIBNONCSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 1192954) is 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is RVMYNLFGNQOCMX-LFIBNONCSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/b16-11+.
What are the key properties of 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 358.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 1192954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).