2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one

C17H15Cl2NO3S — CID 59342369

IUPAC2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-3-1-12(2-4-13)17-11-15(21)9-10-20(17)24(22,23)16-7-5-14(19)6-8-16/h1-8,17H,9-11H2
InChIKeyQTDYLKBXWYLKFZ-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.09
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one

2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one (PubChem CID 59342369) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one
PubChem CID59342369
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Name2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-3-1-12(2-4-13)17-11-15(21)9-10-20(17)24(22,23)16-7-5-14(19)6-8-16/h1-8,17H,9-11H2
InChIKeyQTDYLKBXWYLKFZ-UHFFFAOYSA-N
XLogP4.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one (CID 59342369) is 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The InChIKey is QTDYLKBXWYLKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c18-13-3-1-12(2-4-13)17-11-15(21)9-10-20(17)24(22,23)16-7-5-14(19)6-8-16/h1-8,17H,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one?
2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one has a molecular weight of 384.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 59342369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).