4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C18H20ClFN2O4S — CID 86265671

IUPAC4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n1C
InChIInChI=1S/C18H20ClFN2O4S/c1-12-9-14(10-18(23)21(12)2)26-13-5-7-22(8-6-13)27(24,25)15-3-4-17(20)16(19)11-15/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyMERMCFHFDAVKEE-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.72
Rot. Bonds4

About 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265671) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265671
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n1C
InChIInChI=1S/C18H20ClFN2O4S/c1-12-9-14(10-18(23)21(12)2)26-13-5-7-22(8-6-13)27(24,25)15-3-4-17(20)16(19)11-15/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyMERMCFHFDAVKEE-UHFFFAOYSA-N
XLogP2.72
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156421
4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121182608
4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265638
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
CID 121156442
4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265667
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265561
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1,6-dimethyl-4-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridin-2-one
CID 99991423

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265671) is 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n1C.
What is the InChIKey of 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is MERMCFHFDAVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-12-9-14(10-18(23)21(12)2)26-13-5-7-22(8-6-13)27(24,25)15-3-4-17(20)16(19)11-15/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 414.89 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).