[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C22H25ClN2O6S — CID 25163429

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H25ClN2O6S/c1-16-3-8-20(17(2)13-16)32(28,29)25-11-9-24(10-12-25)21(26)14-31-22(27)15-30-19-6-4-18(23)5-7-19/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyJKMZKFSSZNXITH-UHFFFAOYSA-N
MW480.97 g/mol
LogP2.41
Rot. Bonds7

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 25163429) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID25163429
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H25ClN2O6S/c1-16-3-8-20(17(2)13-16)32(28,29)25-11-9-24(10-12-25)21(26)14-31-22(27)15-30-19-6-4-18(23)5-7-19/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyJKMZKFSSZNXITH-UHFFFAOYSA-N
XLogP2.41
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 25163429) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is JKMZKFSSZNXITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-16-3-8-20(17(2)13-16)32(28,29)25-11-9-24(10-12-25)21(26)14-31-22(27)15-30-19-6-4-18(23)5-7-19/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 480.97 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 25163429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).