1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one

C16H17FN2O4S — CID 53170598

IUPAC1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCOCC2)cn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O4S/c17-14-3-1-2-13(10-14)11-18-12-15(4-5-16(18)20)24(21,22)19-6-8-23-9-7-19/h1-5,10,12H,6-9,11H2
InChIKeyVECAJAALKJFYOX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.06
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one

1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one (PubChem CID 53170598) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
PubChem CID53170598
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCOCC2)cn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O4S/c17-14-3-1-2-13(10-14)11-18-12-15(4-5-16(18)20)24(21,22)19-6-8-23-9-7-19/h1-5,10,12H,6-9,11H2
InChIKeyVECAJAALKJFYOX-UHFFFAOYSA-N
XLogP1.06
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 53170579
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one (CID 53170598) is 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCOCC2)cn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The InChIKey is VECAJAALKJFYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c17-14-3-1-2-13(10-14)11-18-12-15(4-5-16(18)20)24(21,22)19-6-8-23-9-7-19/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one has a molecular weight of 352.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53170598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).