1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

C18H24N2O4S — CID 4794723

IUPAC1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O4S/c1-14(21)15-6-8-17(9-7-15)25(23,24)20-12-10-19(11-13-20)18(22)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3
InChIKeyZLORTGVUCMSRAZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 4794723) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID4794723
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O4S/c1-14(21)15-6-8-17(9-7-15)25(23,24)20-12-10-19(11-13-20)18(22)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3
InChIKeyZLORTGVUCMSRAZ-UHFFFAOYSA-N
XLogP1.91
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 4794723) is 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is ZLORTGVUCMSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14(21)15-6-8-17(9-7-15)25(23,24)20-12-10-19(11-13-20)18(22)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 364.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 4794723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).