1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one

C11H11Cl2NO4S — CID 58245471

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C11H11Cl2NO4S/c12-9-5-8(6-10(13)11(9)16)19(17,18)14-3-1-7(15)2-4-14/h5-6,16H,1-4H2
InChIKeyPDFRGWWASMPDLS-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.05
Rot. Bonds2

About 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one

1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one (PubChem CID 58245471) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one
PubChem CID58245471
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C11H11Cl2NO4S/c12-9-5-8(6-10(13)11(9)16)19(17,18)14-3-1-7(15)2-4-14/h5-6,16H,1-4H2
InChIKeyPDFRGWWASMPDLS-UHFFFAOYSA-N
XLogP2.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
1-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709319
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
CID 4912877
4-benzyl-8-(3,5-dichloro-4-hydroxyphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;ethane
CID 143985173
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-one
CID 75412879
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one (CID 58245471) is 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one?
The InChIKey is PDFRGWWASMPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c12-9-5-8(6-10(13)11(9)16)19(17,18)14-3-1-7(15)2-4-14/h5-6,16H,1-4H2.
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one?
1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one has a molecular weight of 324.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 58245471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).