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

C21H14F2N4O3S — CID 144678750

IUPAC3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N4O3S/c22-12-8-9-18(15(23)10-12)30-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)31(24)29/h1-11H,24H2,(H,25,28)
InChIKeyZNTQCKLMXHYWOO-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.93
Rot. Bonds5

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

3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide (PubChem CID 144678750) has the molecular formula C21H14F2N4O3S and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
PubChem CID144678750
Molecular FormulaC21H14F2N4O3S
Molecular Weight440.43 g/mol
Exact Mass440.08
IUPAC Name3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
SMILESNS(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N4O3S/c22-12-8-9-18(15(23)10-12)30-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)31(24)29/h1-11H,24H2,(H,25,28)
InChIKeyZNTQCKLMXHYWOO-UHFFFAOYSA-N
XLogP3.93
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
2-(2,4-difluorophenoxy)-3-methylquinoxaline
CID 39999933
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 118376009
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide (CID 144678750) is 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide is NS(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide?
The InChIKey is ZNTQCKLMXHYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O3S/c22-12-8-9-18(15(23)10-12)30-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)31(24)29/h1-11H,24H2,(H,25,28).
What are the key properties of 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide?
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 144678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).