3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide

C13H13FN2O3S — CID 6488283

IUPAC3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-2-19-13-9-11(3-4-12(13)14)20(17,18)16-10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyUVXILDHJXAAZGP-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.42
Rot. Bonds5

About 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide

3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 6488283) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID6488283
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-2-19-13-9-11(3-4-12(13)14)20(17,18)16-10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyUVXILDHJXAAZGP-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide (CID 6488283) is 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is UVXILDHJXAAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-2-19-13-9-11(3-4-12(13)14)20(17,18)16-10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 6488283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).