N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide

C21H23FN4O4S — CID 20946704

IUPACN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN4O4S/c1-24-18-12-16(23-31(29,30)15-8-6-14(22)7-9-15)17(26-10-4-3-5-11-26)13-19(18)25(2)21(28)20(24)27/h6-9,12-13,23H,3-5,10-11H2,1-2H3
InChIKeyVWQCRJBBAPWILU-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.17
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 20946704) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID20946704
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN4O4S/c1-24-18-12-16(23-31(29,30)15-8-6-14(22)7-9-15)17(26-10-4-3-5-11-26)13-19(18)25(2)21(28)20(24)27/h6-9,12-13,23H,3-5,10-11H2,1-2H3
InChIKeyVWQCRJBBAPWILU-UHFFFAOYSA-N
XLogP2.17
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 22433280
N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
CID 20946713
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 113092662
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
CID 50793045
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide (CID 20946704) is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is VWQCRJBBAPWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-24-18-12-16(23-31(29,30)15-8-6-14(22)7-9-15)17(26-10-4-3-5-11-26)13-19(18)25(2)21(28)20(24)27/h6-9,12-13,23H,3-5,10-11H2,1-2H3.
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 446.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 20946704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).