2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide

C8H11FN2O3S — CID 122701497

IUPAC2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C8H11FN2O3S/c1-14-8(5-15(10,12)13)7-3-2-6(9)4-11-7/h2-4,8H,5H2,1H3,(H2,10,12,13)
InChIKeyHBVDCJIPRHTGPP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.20
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide

2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide (PubChem CID 122701497) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide
PubChem CID122701497
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C8H11FN2O3S/c1-14-8(5-15(10,12)13)7-3-2-6(9)4-11-7/h2-4,8H,5H2,1H3,(H2,10,12,13)
InChIKeyHBVDCJIPRHTGPP-UHFFFAOYSA-N
XLogP0.20
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide (CID 122701497) is 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide is COC(CS(N)(=O)=O)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide?
The InChIKey is HBVDCJIPRHTGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c1-14-8(5-15(10,12)13)7-3-2-6(9)4-11-7/h2-4,8H,5H2,1H3,(H2,10,12,13).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide?
2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide has a molecular weight of 234.25 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 122701497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).