4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide

C20H14BrFN4O2S — CID 1347544

IUPAC4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN4O2S/c21-13-5-11-16(12-6-13)29(27,28)26-20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)(H,25,26)
InChIKeyJUSNHPOIXFOUFX-UHFFFAOYSA-N
MW473.33 g/mol
LogP5.08
Rot. Bonds5

About 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide

4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1347544) has the molecular formula C20H14BrFN4O2S and a molecular weight of 473.33 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1347544
Molecular FormulaC20H14BrFN4O2S
Molecular Weight473.33 g/mol
Exact Mass472.00
IUPAC Name4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN4O2S/c21-13-5-11-16(12-6-13)29(27,28)26-20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)(H,25,26)
InChIKeyJUSNHPOIXFOUFX-UHFFFAOYSA-N
XLogP5.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.33
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1347544) is 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is JUSNHPOIXFOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4O2S/c21-13-5-11-16(12-6-13)29(27,28)26-20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)(H,25,26).
What are the key properties of 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 473.33 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1347544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).