2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C12H11FN2O3S — CID 47298840

IUPAC2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccccc2F)ccc1=O
InChIInChI=1S/C12H11FN2O3S/c1-15-8-9(6-7-12(15)16)14-19(17,18)11-5-3-2-4-10(11)13/h2-8,14H,1H3
InChIKeySTGMLVHAKZVKAU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.33
Rot. Bonds3

About 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 47298840) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID47298840
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccccc2F)ccc1=O
InChIInChI=1S/C12H11FN2O3S/c1-15-8-9(6-7-12(15)16)14-19(17,18)11-5-3-2-4-10(11)13/h2-8,14H,1H3
InChIKeySTGMLVHAKZVKAU-UHFFFAOYSA-N
XLogP1.33
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 47298840) is 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccccc2F)ccc1=O.
What is the InChIKey of 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is STGMLVHAKZVKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-15-8-9(6-7-12(15)16)14-19(17,18)11-5-3-2-4-10(11)13/h2-8,14H,1H3.
What are the key properties of 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 47298840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).