2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C19H20ClNO4S — CID 2640425

IUPAC2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(COc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20ClNO4S/c20-17-6-2-3-7-19(17)25-14-18(22)15-8-10-16(11-9-15)26(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyZGMCHBIIGTVZRR-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 2640425) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID2640425
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(COc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20ClNO4S/c20-17-6-2-3-7-19(17)25-14-18(22)15-8-10-16(11-9-15)26(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyZGMCHBIIGTVZRR-UHFFFAOYSA-N
XLogP3.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,3-dichlorobenzoate
CID 2645596
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dichlorobenzoate
CID 2640566
2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-phenylphenyl)ethanone
CID 16504528
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dimethoxybenzoate
CID 2645986
(2-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557893
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42967136
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
[2-(4-methoxyphenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2346671
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774413

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 2640425) is 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is O=C(COc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is ZGMCHBIIGTVZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c20-17-6-2-3-7-19(17)25-14-18(22)15-8-10-16(11-9-15)26(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 393.89 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 2640425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).