2-fluoro-N-pyridin-4-ylethanesulfonamide

C7H9FN2O2S — CID 67793529

IUPAC2-fluoro-N-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCF)Nc1ccncc1
InChIInChI=1S/C7H9FN2O2S/c8-3-6-13(11,12)10-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H,9,10)
InChIKeyOXVROBUJOCLGQO-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.79
Rot. Bonds4

About 2-fluoro-N-pyridin-4-ylethanesulfonamide

2-fluoro-N-pyridin-4-ylethanesulfonamide (PubChem CID 67793529) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-fluoro-N-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-pyridin-4-ylethanesulfonamide
PubChem CID67793529
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC Name2-fluoro-N-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCF)Nc1ccncc1
InChIInChI=1S/C7H9FN2O2S/c8-3-6-13(11,12)10-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H,9,10)
InChIKeyOXVROBUJOCLGQO-UHFFFAOYSA-N
XLogP0.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pyridin-4-ylethanesulfonamide?
The IUPAC name of 2-fluoro-N-pyridin-4-ylethanesulfonamide (CID 67793529) is 2-fluoro-N-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for 2-fluoro-N-pyridin-4-ylethanesulfonamide?
The canonical SMILES for 2-fluoro-N-pyridin-4-ylethanesulfonamide is O=S(=O)(CCF)Nc1ccncc1.
What is the InChIKey of 2-fluoro-N-pyridin-4-ylethanesulfonamide?
The InChIKey is OXVROBUJOCLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c8-3-6-13(11,12)10-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H,9,10).
What are the key properties of 2-fluoro-N-pyridin-4-ylethanesulfonamide?
2-fluoro-N-pyridin-4-ylethanesulfonamide has a molecular weight of 204.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 67793529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).