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

C20H21FN4O4S — CID 20946719

IUPACN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN4O4S/c1-23-17-11-15(22-30(28,29)14-7-5-13(21)6-8-14)16(25-9-3-4-10-25)12-18(17)24(2)20(27)19(23)26/h5-8,11-12,22H,3-4,9-10H2,1-2H3
InChIKeyCCFPSVXDHAEBNB-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.78
Rot. Bonds4

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

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 20946719) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID20946719
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN4O4S/c1-23-17-11-15(22-30(28,29)14-7-5-13(21)6-8-14)16(25-9-3-4-10-25)12-18(17)24(2)20(27)19(23)26/h5-8,11-12,22H,3-4,9-10H2,1-2H3
InChIKeyCCFPSVXDHAEBNB-UHFFFAOYSA-N
XLogP1.78
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.78
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-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide (CID 20946719) is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is CCFPSVXDHAEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-23-17-11-15(22-30(28,29)14-7-5-13(21)6-8-14)16(25-9-3-4-10-25)12-18(17)24(2)20(27)19(23)26/h5-8,11-12,22H,3-4,9-10H2,1-2H3.
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide?
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 432.48 g/mol, XLogP of 1.78, 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-pyrrolidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 20946719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).