5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one

C17H18FNO4S — CID 118022321

IUPAC5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H18FNO4S/c1-19-9-12(7-15(18)17(19)20)14-8-13(24(2,21)22)5-6-16(14)23-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPUVZRBRWLHRLOI-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.38
Rot. Bonds5

About 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one (PubChem CID 118022321) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
PubChem CID118022321
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H18FNO4S/c1-19-9-12(7-15(18)17(19)20)14-8-13(24(2,21)22)5-6-16(14)23-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPUVZRBRWLHRLOI-UHFFFAOYSA-N
XLogP2.38
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one (CID 118022321) is 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc(F)c1=O.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is PUVZRBRWLHRLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-19-9-12(7-15(18)17(19)20)14-8-13(24(2,21)22)5-6-16(14)23-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 351.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 118022321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).