[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide

C20H13F2N4O2S- — CID 2019050

IUPAC[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide
SMILESO=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F2N4O2S/c21-13-5-9-15(10-6-13)23-19-20(25-18-4-2-1-3-17(18)24-19)26-29(27,28)16-11-7-14(22)8-12-16/h1-12H,(H-,23,24,25,26)/q-1
InChIKeyLTGXFHBWKFTMEE-UHFFFAOYSA-N
MW411.41 g/mol
LogP5.05
Rot. Bonds5

About [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide

[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide (PubChem CID 2019050) has the molecular formula C20H13F2N4O2S- and a molecular weight of 411.41 g/mol. Its IUPAC name is [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide.

Molecular Properties

Compound Name[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide
PubChem CID2019050
Molecular FormulaC20H13F2N4O2S-
Molecular Weight411.41 g/mol
Exact Mass411.07
IUPAC Name[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide
SMILESO=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F2N4O2S/c21-13-5-9-15(10-6-13)23-19-20(25-18-4-2-1-3-17(18)24-19)26-29(27,28)16-11-7-14(22)8-12-16/h1-12H,(H-,23,24,25,26)/q-1
InChIKeyLTGXFHBWKFTMEE-UHFFFAOYSA-N
XLogP5.05
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide?
The IUPAC name of [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide (CID 2019050) is [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide.
What is the SMILES notation for [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide?
The canonical SMILES for [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide is O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide?
The InChIKey is LTGXFHBWKFTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N4O2S/c21-13-5-9-15(10-6-13)23-19-20(25-18-4-2-1-3-17(18)24-19)26-29(27,28)16-11-7-14(22)8-12-16/h1-12H,(H-,23,24,25,26)/q-1.
What are the key properties of [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide?
[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide has a molecular weight of 411.41 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide is sourced from PubChem (CID 2019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).