4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide

C23H19ClFN3O4S — CID 166322265

IUPAC4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(=O)Nc3c(F)cccc32)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-2-28(15-7-4-3-5-8-15)33(31,32)16-11-12-18(24)17(13-16)23(30)27-14-21(29)26-22-19(25)9-6-10-20(22)27/h3-13H,2,14H2,1H3,(H,26,29)
InChIKeyYQLWCBGIVYTJOA-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.29
Rot. Bonds5

About 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide

4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 166322265) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID166322265
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(=O)Nc3c(F)cccc32)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-2-28(15-7-4-3-5-8-15)33(31,32)16-11-12-18(24)17(13-16)23(30)27-14-21(29)26-22-19(25)9-6-10-20(22)27/h3-13H,2,14H2,1H3,(H,26,29)
InChIKeyYQLWCBGIVYTJOA-UHFFFAOYSA-N
XLogP4.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 4854354
N-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
4-chloro-N-ethyl-3-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 25351084
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 55368520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide (CID 166322265) is 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(=O)Nc3c(F)cccc32)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is YQLWCBGIVYTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-2-28(15-7-4-3-5-8-15)33(31,32)16-11-12-18(24)17(13-16)23(30)27-14-21(29)26-22-19(25)9-6-10-20(22)27/h3-13H,2,14H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide?
4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 487.94 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-(5-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 166322265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).