3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H15FN2O3S — CID 2236975

IUPAC3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1F
InChIInChI=1S/C14H15FN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyHUFSJAPNIJDJBZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.10
Rot. Bonds6

About 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2236975) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2236975
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1F
InChIInChI=1S/C14H15FN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyHUFSJAPNIJDJBZ-UHFFFAOYSA-N
XLogP2.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.10
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-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2236975) is 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is HUFSJAPNIJDJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.10, 6 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-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).