1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C21H25ClN2O4S — CID 2125400

IUPAC1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-15-13-23(14-16-24)12-11-21(25)17-3-5-18(22)6-4-17/h3-10H,2,11-16H2,1H3
InChIKeyUQIKIWFBRYLUQY-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.32
Rot. Bonds8

About 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 2125400) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID2125400
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-15-13-23(14-16-24)12-11-21(25)17-3-5-18(22)6-4-17/h3-10H,2,11-16H2,1H3
InChIKeyUQIKIWFBRYLUQY-UHFFFAOYSA-N
XLogP3.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
1-(4-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002754
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 20970600
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2664094
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 2225522
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
6-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanoyl]-3H-1-benzofuran-2-one
CID 158780571
ethyl 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 26945193
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 2125400) is 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is UQIKIWFBRYLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-15-13-23(14-16-24)12-11-21(25)17-3-5-18(22)6-4-17/h3-10H,2,11-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 436.96 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 2125400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).