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

C16H18ClN3O4S — CID 67193623

IUPAC1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-7-4-12(15(21)16(20)22)11-19-8-5-18-6-9-19/h1-4,7,10,18,21H,5-6,8-9,11H2
InChIKeyDYIYDFRRQKWZDP-UHFFFAOYSA-N
MW383.86 g/mol
LogP0.85
Rot. Bonds4

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

1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one (PubChem CID 67193623) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
PubChem CID67193623
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-7-4-12(15(21)16(20)22)11-19-8-5-18-6-9-19/h1-4,7,10,18,21H,5-6,8-9,11H2
InChIKeyDYIYDFRRQKWZDP-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one (CID 67193623) is 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCNCC2)ccn1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
The InChIKey is DYIYDFRRQKWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-7-4-12(15(21)16(20)22)11-19-8-5-18-6-9-19/h1-4,7,10,18,21H,5-6,8-9,11H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one?
1-(3-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-(3-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 67193623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).