2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

C20H23ClN2O6S — CID 26419289

IUPAC2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O6S/c1-27-15-7-8-18(28-2)19(13-15)30(25,26)23-11-9-22(10-12-23)20(24)14-29-17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDPYJMRUHKFMBLK-UHFFFAOYSA-N
MW454.93 g/mol
LogP2.27
Rot. Bonds7

About 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 26419289) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID26419289
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC Name2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O6S/c1-27-15-7-8-18(28-2)19(13-15)30(25,26)23-11-9-22(10-12-23)20(24)14-29-17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDPYJMRUHKFMBLK-UHFFFAOYSA-N
XLogP2.27
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 31734856
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 2051838
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
1-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55702620
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 8804014
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 43039559
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
2-(4-chlorophenoxy)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27799783
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone (CID 26419289) is 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is DPYJMRUHKFMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-27-15-7-8-18(28-2)19(13-15)30(25,26)23-11-9-22(10-12-23)20(24)14-29-17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 454.93 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 26419289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).