3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

C21H14F2N4O4S — CID 78319770

IUPAC3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N4O4S/c22-12-8-9-18(15(23)10-12)31-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30)
InChIKeyJPNNYEVGDPYVAC-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.60
Rot. Bonds5

About 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (PubChem CID 78319770) has the molecular formula C21H14F2N4O4S and a molecular weight of 456.43 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
PubChem CID78319770
Molecular FormulaC21H14F2N4O4S
Molecular Weight456.43 g/mol
Exact Mass456.07
IUPAC Name3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N4O4S/c22-12-8-9-18(15(23)10-12)31-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30)
InChIKeyJPNNYEVGDPYVAC-UHFFFAOYSA-N
XLogP3.60
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (CID 78319770) is 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The InChIKey is JPNNYEVGDPYVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O4S/c22-12-8-9-18(15(23)10-12)31-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30).
What are the key properties of 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).