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

C11H12ClNO3S — CID 3364429

IUPAC1-(4-chlorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2
InChIKeyMBFQWKZGVWXLGM-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.69
Rot. Bonds2

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

1-(4-chlorophenyl)sulfonylpiperidin-4-one (PubChem CID 3364429) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpiperidin-4-one
PubChem CID3364429
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name1-(4-chlorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2
InChIKeyMBFQWKZGVWXLGM-UHFFFAOYSA-N
XLogP1.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpiperidin-4-one (CID 3364429) is 1-(4-chlorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpiperidin-4-one?
The InChIKey is MBFQWKZGVWXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonylpiperidin-4-one?
1-(4-chlorophenyl)sulfonylpiperidin-4-one has a molecular weight of 273.74 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 3364429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).