N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C15H12BrN3O4S — CID 3317983

IUPACN-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H12BrN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeySZDWJECNYMCAET-UHFFFAOYSA-N
MW410.25 g/mol
LogP1.80
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 3317983) has the molecular formula C15H12BrN3O4S and a molecular weight of 410.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID3317983
Molecular FormulaC15H12BrN3O4S
Molecular Weight410.25 g/mol
Exact Mass408.97
IUPAC NameN-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H12BrN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeySZDWJECNYMCAET-UHFFFAOYSA-N
XLogP1.80
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-N-methyl-2,3-dioxo-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

4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-(3-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129282150
N-(4-(((4-Bromophenyl)amino)sulfonyl)phenyl)acetamide
CID 984584
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 2711536
6-(4-Phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 3566863
N-ethyl-2,3-dioxo-N-phenyl-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3661670
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4806474
N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884049
N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide
CID 4969617
2-(4-bromoanilino)-N-(3-morpholinosulfonylphenyl)propionamide
CID 16327674
2-[4-(4-bromophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 137643607

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 3317983) is N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is SZDWJECNYMCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 410.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 3317983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).