1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one

C17H18ClFN2O3S — CID 53170571

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c18-15-5-4-6-16(19)14(15)12-20-11-13(7-8-17(20)22)25(23,24)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2
InChIKeyDKPXGLBNIOQGAU-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.86
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one

1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one (PubChem CID 53170571) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one
PubChem CID53170571
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c18-15-5-4-6-16(19)14(15)12-20-11-13(7-8-17(20)22)25(23,24)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2
InChIKeyDKPXGLBNIOQGAU-UHFFFAOYSA-N
XLogP2.86
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one (CID 53170571) is 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one?
The InChIKey is DKPXGLBNIOQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c18-15-5-4-6-16(19)14(15)12-20-11-13(7-8-17(20)22)25(23,24)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one?
1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one has a molecular weight of 384.86 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53170571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).