3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

C21H16N4O4S — CID 78319832

IUPAC3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C21H16N4O4S/c22-30(27,28)16-10-6-7-14(13-16)23-20(26)19-21(29-15-8-2-1-3-9-15)25-18-12-5-4-11-17(18)24-19/h1-13H,(H,23,26)(H2,22,27,28)
InChIKeyDRZJVGBYYKUWHO-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.32
Rot. Bonds5

About 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (PubChem CID 78319832) has the molecular formula C21H16N4O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
PubChem CID78319832
Molecular FormulaC21H16N4O4S
Molecular Weight420.45 g/mol
Exact Mass420.09
IUPAC Name3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C21H16N4O4S/c22-30(27,28)16-10-6-7-14(13-16)23-20(26)19-21(29-15-8-2-1-3-9-15)25-18-12-5-4-11-17(18)24-19/h1-13H,(H,23,26)(H2,22,27,28)
InChIKeyDRZJVGBYYKUWHO-UHFFFAOYSA-N
XLogP3.32
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 172716708
molecular hydrogen;3-phenoxy-N-(3-sulfamoylphenyl)benzamide
CID 158388567
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
2-(phenoxymethyl)-N-(3-sulfamoylphenyl)benzamide
CID 24854768
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (CID 78319832) is 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The InChIKey is DRZJVGBYYKUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S/c22-30(27,28)16-10-6-7-14(13-16)23-20(26)19-21(29-15-8-2-1-3-9-15)25-18-12-5-4-11-17(18)24-19/h1-13H,(H,23,26)(H2,22,27,28).
What are the key properties of 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).