2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone

C14H18ClNO3S — CID 78761127

IUPAC2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-11-6-8-16(9-7-11)14(17)10-20(18,19)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyXFXKITGKNSOBTK-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone

2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 78761127) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID78761127
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-11-6-8-16(9-7-11)14(17)10-20(18,19)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyXFXKITGKNSOBTK-UHFFFAOYSA-N
XLogP2.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
2-(4-chlorophenyl)sulfonyl-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119648007
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124612046
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 125119704
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124692004
[3-[2-(4-chlorophenyl)sulfonylethyl]-1,2,4-oxadiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53133834
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
2-(4-chlorophenyl)sulfonyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24559671
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone (CID 78761127) is 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XFXKITGKNSOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-11-6-8-16(9-7-11)14(17)10-20(18,19)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 315.82 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78761127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).