N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide

C14H19N3O4S — CID 110396484

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O4S/c1-2-3-10-22(20,21)15-8-9-17-12-7-5-4-6-11(12)16-13(18)14(17)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyPRMLHBWEPDGAKZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.41
Rot. Bonds7

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide (PubChem CID 110396484) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
PubChem CID110396484
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O4S/c1-2-3-10-22(20,21)15-8-9-17-12-7-5-4-6-11(12)16-13(18)14(17)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyPRMLHBWEPDGAKZ-UHFFFAOYSA-N
XLogP0.41
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110396504
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110396503
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110396500
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110617588
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide (CID 110396484) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide?
The InChIKey is PRMLHBWEPDGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-2-3-10-22(20,21)15-8-9-17-12-7-5-4-6-11(12)16-13(18)14(17)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110396484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).