2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide

C11H13N3O4S — CID 866306

IUPAC2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O4S/c1-6(2)14-19(17,18)7-3-4-8-9(5-7)13-11(16)10(15)12-8/h3-6,14H,1-2H3,(H,12,15)(H,13,16)
InChIKeyZCUPHLXYJCDWDX-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.10
Rot. Bonds3

About 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide

2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 866306) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID866306
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O4S/c1-6(2)14-19(17,18)7-3-4-8-9(5-7)13-11(16)10(15)12-8/h3-6,14H,1-2H3,(H,12,15)(H,13,16)
InChIKeyZCUPHLXYJCDWDX-UHFFFAOYSA-N
XLogP-0.10
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-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

N-(1-methoxypropan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25045600
(2S)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylpentanoic acid
CID 2206886
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31079019
N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 4178720
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3157171
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
methyl 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]benzoate
CID 15999609
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
CID 2064173
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110626063
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide (CID 866306) is 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide is CC(C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is ZCUPHLXYJCDWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-6(2)14-19(17,18)7-3-4-8-9(5-7)13-11(16)10(15)12-8/h3-6,14H,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?
2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 283.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 866306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).