3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

C21H14ClFN4O4S — CID 172716708

IUPAC3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2cccc(F)c2Cl)c1
InChIInChI=1S/C21H14ClFN4O4S/c22-18-14(23)7-4-10-17(18)31-21-19(26-15-8-1-2-9-16(15)27-21)20(28)25-12-5-3-6-13(11-12)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30)
InChIKeyFYNKEESWBBWDFC-UHFFFAOYSA-N
MW472.89 g/mol
LogP4.11
Rot. Bonds5

About 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide

3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (PubChem CID 172716708) has the molecular formula C21H14ClFN4O4S and a molecular weight of 472.89 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
PubChem CID172716708
Molecular FormulaC21H14ClFN4O4S
Molecular Weight472.89 g/mol
Exact Mass472.04
IUPAC Name3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2cccc(F)c2Cl)c1
InChIInChI=1S/C21H14ClFN4O4S/c22-18-14(23)7-4-10-17(18)31-21-19(26-15-8-1-2-9-16(15)27-21)20(28)25-12-5-3-6-13(11-12)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30)
InChIKeyFYNKEESWBBWDFC-UHFFFAOYSA-N
XLogP4.11
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.89
LogP ≤ 54.11
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-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466610
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
4-amino-5-methyl-N-(3-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 62083333
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide (CID 172716708) is 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2cccc(F)c2Cl)c1.
What is the InChIKey of 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
The InChIKey is FYNKEESWBBWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O4S/c22-18-14(23)7-4-10-17(18)31-21-19(26-15-8-1-2-9-16(15)27-21)20(28)25-12-5-3-6-13(11-12)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30).
What are the key properties of 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide?
3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide has a molecular weight of 472.89 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 172716708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).