N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide

C6H4F4N2O2S — CID 103098077

IUPACN-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1F)C(F)F
InChIInChI=1S/C6H4F4N2O2S/c7-4-2-1-3(5(8)11-4)12-15(13,14)6(9)10/h1-2,6,12H
InChIKeyJVMDGLHZPCBTNF-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.32
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide

N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide (PubChem CID 103098077) has the molecular formula C6H4F4N2O2S and a molecular weight of 244.17 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide
PubChem CID103098077
Molecular FormulaC6H4F4N2O2S
Molecular Weight244.17 g/mol
Exact Mass243.99
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1F)C(F)F
InChIInChI=1S/C6H4F4N2O2S/c7-4-2-1-3(5(8)11-4)12-15(13,14)6(9)10/h1-2,6,12H
InChIKeyJVMDGLHZPCBTNF-UHFFFAOYSA-N
XLogP1.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-(trifluoromethyl)pyridin-3-amine
CID 3521850
6-Fluoro-2-methylpyridin-3-amine
CID 24729240
2,6-Difluoropyridin-3-amine
CID 45080006
6-Fluoro-2-iodopyridin-3-amine
CID 56924478
2,5,6-Trifluoropyridin-3-amine
CID 130055555
2-(Trifluoromethyl sulfonylaminomethyl)-6-methyl pyridine
CID 86218781
1,1,1-Trifluoro-N-(pyridin-3-yl)methanesulfonamide
CID 18509559
2-Fluoro-6-methylsulfonylpyridin-3-amine
CID 58414790
2-Fluoro-6-iodopyridin-3-amine
CID 71743077
1-fluoro-N-pyridin-3-ylmethanesulfonamide
CID 91041425
N-(6-Fluoropyridin-3-yl)methanesulfonamide
CID 103777916
N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872347

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide (CID 103098077) is N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1ccc(F)nc1F)C(F)F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The InChIKey is JVMDGLHZPCBTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O2S/c7-4-2-1-3(5(8)11-4)12-15(13,14)6(9)10/h1-2,6,12H.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide has a molecular weight of 244.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 103098077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).