1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one

C13H13Cl2NO4S — CID 64635390

IUPAC1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H13Cl2NO4S/c14-10-2-1-3-11(15)13(10)21(19,20)8-12(18)16-6-4-9(17)5-7-16/h1-3H,4-8H2
InChIKeyVKSLPFLDYCRYHJ-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.96
Rot. Bonds3

About 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one

1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one (PubChem CID 64635390) has the molecular formula C13H13Cl2NO4S and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
PubChem CID64635390
Molecular FormulaC13H13Cl2NO4S
Molecular Weight350.22 g/mol
Exact Mass348.99
IUPAC Name1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H13Cl2NO4S/c14-10-2-1-3-11(15)13(10)21(19,20)8-12(18)16-6-4-9(17)5-7-16/h1-3H,4-8H2
InChIKeyVKSLPFLDYCRYHJ-UHFFFAOYSA-N
XLogP1.96
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one
CID 64642010
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
1-(2-chlorobenzoyl)azepan-4-one
CID 84581173
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
CID 39381768
1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425848
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone
CID 64635956
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbenzoic acid
CID 24696772
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate
CID 64636534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one (CID 64635390) is 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one is O=C1CCN(C(=O)CS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one?
The InChIKey is VKSLPFLDYCRYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4S/c14-10-2-1-3-11(15)13(10)21(19,20)8-12(18)16-6-4-9(17)5-7-16/h1-3H,4-8H2.
What are the key properties of 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one?
1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one has a molecular weight of 350.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one is sourced from PubChem (CID 64635390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).