3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

C23H17F2N3O5S — CID 50824297

IUPAC3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C23H17F2N3O5S/c1-27-18-11-17(26-21(29)13-4-3-5-15(25)10-13)20(12-19(18)28(2)23(31)22(27)30)34(32,33)16-8-6-14(24)7-9-16/h3-12H,1-2H3,(H,26,29)
InChIKeyVCXIDPNBWNYQMP-UHFFFAOYSA-N
MW485.47 g/mol
LogP2.60
Rot. Bonds4

About 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (PubChem CID 50824297) has the molecular formula C23H17F2N3O5S and a molecular weight of 485.47 g/mol. Its IUPAC name is 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
PubChem CID50824297
Molecular FormulaC23H17F2N3O5S
Molecular Weight485.47 g/mol
Exact Mass485.09
IUPAC Name3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C23H17F2N3O5S/c1-27-18-11-17(26-21(29)13-4-3-5-15(25)10-13)20(12-19(18)28(2)23(31)22(27)30)34(32,33)16-8-6-14(24)7-9-16/h3-12H,1-2H3,(H,26,29)
InChIKeyVCXIDPNBWNYQMP-UHFFFAOYSA-N
XLogP2.60
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
CID 50824169
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 50824237

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The IUPAC name of 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (CID 50824297) is 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3cccc(F)c3)cc21.
What is the InChIKey of 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The InChIKey is VCXIDPNBWNYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O5S/c1-27-18-11-17(26-21(29)13-4-3-5-15(25)10-13)20(12-19(18)28(2)23(31)22(27)30)34(32,33)16-8-6-14(24)7-9-16/h3-12H,1-2H3,(H,26,29).
What are the key properties of 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide has a molecular weight of 485.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is sourced from PubChem (CID 50824297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).