N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide

C8H8F2N2O3S — CID 103097646

IUPACN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2O3S/c1-16(14,15)4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyHJDQCMMAAVMZHH-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.34
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide

N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide (PubChem CID 103097646) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
PubChem CID103097646
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2O3S/c1-16(14,15)4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyHJDQCMMAAVMZHH-UHFFFAOYSA-N
XLogP0.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.34
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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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-2-phenylacetamide
CID 103097971
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
CID 103098172
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
2-(3-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097835
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
2-(2-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103098029
N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 103097715
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
CID 103097809
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
N-(2,6-difluoro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 103097670
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide (CID 103097646) is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide?
The InChIKey is HJDQCMMAAVMZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c1-16(14,15)4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide?
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide has a molecular weight of 250.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 103097646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).