1-(4-piperazin-1-ylsulfonylphenyl)ethanone

C12H16N2O3S — CID 2125328

IUPAC1-(4-piperazin-1-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKeyWRMOTUAHMUXQJQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-piperazin-1-ylsulfonylphenyl)ethanone

1-(4-piperazin-1-ylsulfonylphenyl)ethanone (PubChem CID 2125328) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-piperazin-1-ylsulfonylphenyl)ethanone
PubChem CID2125328
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(4-piperazin-1-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKeyWRMOTUAHMUXQJQ-UHFFFAOYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperazin-1-ylsulfonylbenzamide
CID 7131265
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
1-[4-[4-amino-4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 137480244
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
1-[4-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 71809864
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-4-methoxybutan-1-one
CID 55757653

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-piperazin-1-ylsulfonylphenyl)ethanone (CID 2125328) is 1-(4-piperazin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-piperazin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-piperazin-1-ylsulfonylphenyl)ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-piperazin-1-ylsulfonylphenyl)ethanone?
The InChIKey is WRMOTUAHMUXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3.
What are the key properties of 1-(4-piperazin-1-ylsulfonylphenyl)ethanone?
1-(4-piperazin-1-ylsulfonylphenyl)ethanone has a molecular weight of 268.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 2125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).