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

C21H23BrN4O4S — CID 20946710

IUPAC4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(Br)cc3)cc21
InChIInChI=1S/C21H23BrN4O4S/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
InChIKeyPSFHLGIKCSVXOU-UHFFFAOYSA-N
MW507.41 g/mol
LogP2.79
Rot. Bonds4

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

4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide (PubChem CID 20946710) has the molecular formula C21H23BrN4O4S and a molecular weight of 507.41 g/mol. Its IUPAC name is 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
PubChem CID20946710
Molecular FormulaC21H23BrN4O4S
Molecular Weight507.41 g/mol
Exact Mass506.06
IUPAC Name4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(Br)cc3)cc21
InChIInChI=1S/C21H23BrN4O4S/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
InChIKeyPSFHLGIKCSVXOU-UHFFFAOYSA-N
XLogP2.79
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 22433280
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
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
6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one
CID 135007599
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50832756
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 50832787
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
N-(2,4-dinitro-5-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide (CID 20946710) is 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(Br)cc3)cc21.
What is the InChIKey of 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide?
The InChIKey is PSFHLGIKCSVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O4S/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 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide?
4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide has a molecular weight of 507.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide is sourced from PubChem (CID 20946710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).