4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

C12H11FN2O3S — CID 110724965

IUPAC4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]c2)ccc1F
InChIInChI=1S/C12H11FN2O3S/c1-8-6-10(3-4-11(8)13)19(17,18)15-9-2-5-12(16)14-7-9/h2-7,15H,1H3,(H,14,16)
InChIKeyZVXUDVOMOIHZPL-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.62
Rot. Bonds3

About 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (PubChem CID 110724965) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
PubChem CID110724965
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]c2)ccc1F
InChIInChI=1S/C12H11FN2O3S/c1-8-6-10(3-4-11(8)13)19(17,18)15-9-2-5-12(16)14-7-9/h2-7,15H,1H3,(H,14,16)
InChIKeyZVXUDVOMOIHZPL-UHFFFAOYSA-N
XLogP1.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724957
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (CID 110724965) is 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(=O)[nH]c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The InChIKey is ZVXUDVOMOIHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-8-6-10(3-4-11(8)13)19(17,18)15-9-2-5-12(16)14-7-9/h2-7,15H,1H3,(H,14,16).
What are the key properties of 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110724965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).