2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone

C14H18ClNO3S — CID 112779660

IUPAC2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO3S/c1-11-3-2-8-16(9-11)14(17)10-20(18,19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyUGFYHLHUNBLVRH-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone

2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 112779660) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID112779660
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO3S/c1-11-3-2-8-16(9-11)14(17)10-20(18,19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyUGFYHLHUNBLVRH-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-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 125119704
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124612046
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124692004
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
2-(4-chlorophenyl)sulfonyl-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119648007
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
4-(4-chlorophenyl)sulfanyl-1-(3-methylpiperidin-1-yl)butan-1-one
CID 112762882

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone (CID 112779660) is 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is UGFYHLHUNBLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-11-3-2-8-16(9-11)14(17)10-20(18,19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-chlorophenyl)sulfonyl-1-(3-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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112779660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).