5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one

C13H13FN2O3S — CID 154599551

IUPAC5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one
SMILES[H]/N=C1\C(F)=CC(S(=O)(=O)c2ccc(C)cc2)C(=O)N1C
InChIInChI=1S/C13H13FN2O3S/c1-8-3-5-9(6-4-8)20(18,19)11-7-10(14)12(15)16(2)13(11)17/h3-7,11,15H,1-2H3/b15-12+
InChIKeyAJBKRYHLXRAVOK-NTCAYCPXSA-N
MW296.32 g/mol
LogP1.44
Rot. Bonds2

About 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one

5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one (PubChem CID 154599551) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one
PubChem CID154599551
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one
SMILES[H]/N=C1\C(F)=CC(S(=O)(=O)c2ccc(C)cc2)C(=O)N1C
InChIInChI=1S/C13H13FN2O3S/c1-8-3-5-9(6-4-8)20(18,19)11-7-10(14)12(15)16(2)13(11)17/h3-7,11,15H,1-2H3/b15-12+
InChIKeyAJBKRYHLXRAVOK-NTCAYCPXSA-N
XLogP1.44
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-deuterio-5-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2H-pyrimidin-4-imine
CID 175920622
3-methylidene-1-(4-methylphenyl)sulfonylpyrrol-2-imine
CID 144646817
(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 92715285
1-methyl-4-(4-methylphenyl)sulfonylpiperidine
CID 71189168
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
imino-bis(4-methylphenyl)-oxo-λ6-sulfane
CID 54310635
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
CID 25041566
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)azetidin-2-one
CID 75529929

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one (CID 154599551) is 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one is [H]/N=C1\C(F)=CC(S(=O)(=O)c2ccc(C)cc2)C(=O)N1C.
What is the InChIKey of 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one?
The InChIKey is AJBKRYHLXRAVOK-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-8-3-5-9(6-4-8)20(18,19)11-7-10(14)12(15)16(2)13(11)17/h3-7,11,15H,1-2H3/b15-12+.
What are the key properties of 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one?
5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one has a molecular weight of 296.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-imino-1-methyl-3-(4-methylphenyl)sulfonyl-3H-pyridin-2-one is sourced from PubChem (CID 154599551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).