4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide

C20H15FN4O3S — CID 23076181

IUPAC4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25)
InChIKeyLADJWXZTEWNOIH-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.54
Rot. Bonds6

About 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide

4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23076181) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID23076181
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25)
InChIKeyLADJWXZTEWNOIH-UHFFFAOYSA-N
XLogP3.54
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 23076181) is 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is LADJWXZTEWNOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25).
What are the key properties of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 410.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).