[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate

C22H25ClN2O6S — CID 24687256

IUPAC[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H25ClN2O6S/c1-17-2-6-19(7-3-17)30-15-10-22(27)31-16-21(26)24-11-13-25(14-12-24)32(28,29)20-8-4-18(23)5-9-20/h2-9H,10-16H2,1H3
InChIKeyJLPVFFVDXIVNLI-UHFFFAOYSA-N
MW480.97 g/mol
LogP2.49
Rot. Bonds8

About [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate

[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 24687256) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
PubChem CID24687256
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Name[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H25ClN2O6S/c1-17-2-6-19(7-3-17)30-15-10-22(27)31-16-21(26)24-11-13-25(14-12-24)32(28,29)20-8-4-18(23)5-9-20/h2-9H,10-16H2,1H3
InChIKeyJLPVFFVDXIVNLI-UHFFFAOYSA-N
XLogP2.49
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate 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 [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate (CID 24687256) is [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is JLPVFFVDXIVNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-17-2-6-19(7-3-17)30-15-10-22(27)31-16-21(26)24-11-13-25(14-12-24)32(28,29)20-8-4-18(23)5-9-20/h2-9H,10-16H2,1H3.
What are the key properties of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 480.97 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 24687256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).