N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide

C24H22FN3O6S — CID 50793045

IUPACN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C24H22FN3O6S/c1-4-33-16-7-9-17(10-8-16)34-22-14-21-20(27(2)23(29)24(30)28(21)3)13-19(22)26-35(31,32)18-11-5-15(25)6-12-18/h5-14,26H,4H2,1-3H3
InChIKeyWWAYGQVFGOMDQR-UHFFFAOYSA-N
MW499.52 g/mol
LogP3.37
Rot. Bonds7

About N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide

N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide (PubChem CID 50793045) has the molecular formula C24H22FN3O6S and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
PubChem CID50793045
Molecular FormulaC24H22FN3O6S
Molecular Weight499.52 g/mol
Exact Mass499.12
IUPAC NameN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C24H22FN3O6S/c1-4-33-16-7-9-17(10-8-16)34-22-14-21-20(27(2)23(29)24(30)28(21)3)13-19(22)26-35(31,32)18-11-5-15(25)6-12-18/h5-14,26H,4H2,1-3H3
InChIKeyWWAYGQVFGOMDQR-UHFFFAOYSA-N
XLogP3.37
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
CID 50793043
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
CID 50792964
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-difluorobenzenesulfonamide
CID 50796821
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50773356
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50796897
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide (CID 50793045) is N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide is CCOc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide?
The InChIKey is WWAYGQVFGOMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O6S/c1-4-33-16-7-9-17(10-8-16)34-22-14-21-20(27(2)23(29)24(30)28(21)3)13-19(22)26-35(31,32)18-11-5-15(25)6-12-18/h5-14,26H,4H2,1-3H3.
What are the key properties of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide?
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide has a molecular weight of 499.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 50793045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).