1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one

C16H18ClN3O4S — CID 67194314

IUPAC1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O4S/c17-13-3-1-2-4-14(13)25(23,24)20-8-5-12(15(21)16(20)22)11-19-9-6-18-7-10-19/h1-5,8,18,21H,6-7,9-11H2
InChIKeyFCGFMANOCYYOGI-UHFFFAOYSA-N
MW383.86 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one

1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one (PubChem CID 67194314) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
PubChem CID67194314
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O4S/c17-13-3-1-2-4-14(13)25(23,24)20-8-5-12(15(21)16(20)22)11-19-9-6-18-7-10-19/h1-5,8,18,21H,6-7,9-11H2
InChIKeyFCGFMANOCYYOGI-UHFFFAOYSA-N
XLogP0.85
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193898
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
CID 144993589
3-chloro-6-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117358874
(2Z)-2-[[1-(2-chlorophenyl)sulfonylindol-3-yl]methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride
CID 86681975
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
[1-[(2-chlorophenyl)methyl]-2-oxo-4-(piperazin-1-ylmethyl)-3-pyridinyl] acetate
CID 174703954
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate
CID 174654553
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
2-fluoro-3-methylsulfonyl-6-(piperazin-1-ylmethyl)phenol
CID 117465783
[1-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl piperazine-1-carboxylate
CID 159034296

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one (CID 67194314) is 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The InChIKey is FCGFMANOCYYOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c17-13-3-1-2-4-14(13)25(23,24)20-8-5-12(15(21)16(20)22)11-19-9-6-18-7-10-19/h1-5,8,18,21H,6-7,9-11H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one has a molecular weight of 383.86 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 67194314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).