2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C18H25ClN2O5S — CID 30147219

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-14-4-6-20(7-5-14)18(22)13-26-16-3-2-15(19)12-17(16)27(23,24)21-8-10-25-11-9-21/h2-3,12,14H,4-11,13H2,1H3
InChIKeyXIAFNDDXXZQOME-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 30147219) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID30147219
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-14-4-6-20(7-5-14)18(22)13-26-16-3-2-15(19)12-17(16)27(23,24)21-8-10-25-11-9-21/h2-3,12,14H,4-11,13H2,1H3
InChIKeyXIAFNDDXXZQOME-UHFFFAOYSA-N
XLogP2.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 30147219) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XIAFNDDXXZQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-14-4-6-20(7-5-14)18(22)13-26-16-3-2-15(19)12-17(16)27(23,24)21-8-10-25-11-9-21/h2-3,12,14H,4-11,13H2,1H3.
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 416.93 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 30147219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).