N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide

C8H9FN2O3S — CID 104820783

IUPACN-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)5-8(12)11-7-4-2-3-6(9)10-7/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyNMAJWQZZTSHTFN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.20
Rot. Bonds3

About N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide

N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide (PubChem CID 104820783) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide
PubChem CID104820783
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC NameN-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)5-8(12)11-7-4-2-3-6(9)10-7/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyNMAJWQZZTSHTFN-UHFFFAOYSA-N
XLogP0.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide (CID 104820783) is N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide?
The InChIKey is NMAJWQZZTSHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c1-15(13,14)5-8(12)11-7-4-2-3-6(9)10-7/h2-4H,5H2,1H3,(H,10,11,12).
What are the key properties of N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide?
N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 104820783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).