[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone

C18H18ClNO3S — CID 2740747

IUPAC[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3S/c19-16-6-8-17(9-7-16)24(22,23)20-12-10-15(11-13-20)18(21)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyDCFVSSCBRNQJLI-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.62
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone (PubChem CID 2740747) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone
PubChem CID2740747
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3S/c19-16-6-8-17(9-7-16)24(22,23)20-12-10-15(11-13-20)18(21)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyDCFVSSCBRNQJLI-UHFFFAOYSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.62
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-yl]-phenylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone (CID 2740747) is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
The InChIKey is DCFVSSCBRNQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-16-6-8-17(9-7-16)24(22,23)20-12-10-15(11-13-20)18(21)14-4-2-1-3-5-14/h1-9,15H,10-13H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone has a molecular weight of 363.87 g/mol, XLogP of 3.62, 4 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-yl]-phenylmethanone is sourced from PubChem (CID 2740747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).