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

C15H22N2O4S — CID 78780224

IUPAC1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)16-9-11-17(12-10-16)22(19,20)14-7-5-13(6-8-14)21-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyXHVBLWJRVASXAQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.33
Rot. Bonds5

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

1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 78780224) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID78780224
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)16-9-11-17(12-10-16)22(19,20)14-7-5-13(6-8-14)21-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyXHVBLWJRVASXAQ-UHFFFAOYSA-N
XLogP1.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567475
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
1-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796761
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 2664078
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 7921506
3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 78780224) is 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is XHVBLWJRVASXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-15(18)16-9-11-17(12-10-16)22(19,20)14-7-5-13(6-8-14)21-4-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 78780224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).