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

C9H10F2N2O3S — CID 103097780

IUPACN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(F)nc1F)S(C)(=O)=O
InChIInChI=1S/C9H10F2N2O3S/c1-5(17(2,15)16)9(14)12-6-3-4-7(10)13-8(6)11/h3-5H,1-2H3,(H,12,14)
InChIKeyWQQWVCDZZHUBBF-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.73
Rot. Bonds3

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

N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide (PubChem CID 103097780) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide
PubChem CID103097780
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(F)nc1F)S(C)(=O)=O
InChIInChI=1S/C9H10F2N2O3S/c1-5(17(2,15)16)9(14)12-6-3-4-7(10)13-8(6)11/h3-5H,1-2H3,(H,12,14)
InChIKeyWQQWVCDZZHUBBF-UHFFFAOYSA-N
XLogP0.73
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.73
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-(4-Fluoro-phenyl)-2-(pyridin-3-ylcarbamoylmethanesulfinyl)-acetamide
CID 1462949
N-(6-Fluoro-2-methyl-3-pyridinyl)acetamide
CID 59578501
N-(2-fluoro-6-methyl-3-pyridinyl)acetamide
CID 59578504
N-(2,5,6-trifluoro-3-pyridinyl)acetamide
CID 164588804
N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 166140733
6-Fluoro-2-(2-methylsulfonylethyl)pyridin-3-amine
CID 174719884
2-[2-[[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 2795954
2-amino-4-methylsulfonyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82795384
N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide
CID 103097627
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
CID 103097646
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103097651
2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097666

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide (CID 103097780) is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(F)nc1F)S(C)(=O)=O.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide?
The InChIKey is WQQWVCDZZHUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-5(17(2,15)16)9(14)12-6-3-4-7(10)13-8(6)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide?
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide has a molecular weight of 264.25 g/mol, XLogP of 0.73, 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-methylsulfonylpropanamide is sourced from PubChem (CID 103097780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).