[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide

C22H17Cl2N4O2S- — CID 2032383

IUPAC[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C22H17Cl2N4O2S/c1-13-7-9-16(11-14(13)2)31(29,30)28-22-21(25-15-8-10-17(23)18(24)12-15)26-19-5-3-4-6-20(19)27-22/h3-12H,1-2H3,(H-,25,26,27,28)/q-1
InChIKeyXIDMEBLFWRSHGA-UHFFFAOYSA-N
MW472.38 g/mol
LogP6.69
Rot. Bonds5

About [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide

[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (PubChem CID 2032383) has the molecular formula C22H17Cl2N4O2S- and a molecular weight of 472.38 g/mol. Its IUPAC name is [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.

Molecular Properties

Compound Name[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
PubChem CID2032383
Molecular FormulaC22H17Cl2N4O2S-
Molecular Weight472.38 g/mol
Exact Mass471.05
IUPAC Name[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C22H17Cl2N4O2S/c1-13-7-9-16(11-14(13)2)31(29,30)28-22-21(25-15-8-10-17(23)18(24)12-15)26-19-5-3-4-6-20(19)27-22/h3-12H,1-2H3,(H-,25,26,27,28)/q-1
InChIKeyXIDMEBLFWRSHGA-UHFFFAOYSA-N
XLogP6.69
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide 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

[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2036399
[3-(3,5-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2031350
[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2011279
[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide
CID 2019050
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-(4-ethylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1398671
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
CID 50765149
[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-[5-[[dimethylamino(dimethylazaniumylidene)methyl]amino]-2-methylphenyl]sulfonylazanide
CID 59249045
N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 3389592
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The IUPAC name of [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (CID 2032383) is [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.
What is the SMILES notation for [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The canonical SMILES for [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The InChIKey is XIDMEBLFWRSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N4O2S/c1-13-7-9-16(11-14(13)2)31(29,30)28-22-21(25-15-8-10-17(23)18(24)12-15)26-19-5-3-4-6-20(19)27-22/h3-12H,1-2H3,(H-,25,26,27,28)/q-1.
What are the key properties of [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide has a molecular weight of 472.38 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is sourced from PubChem (CID 2032383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).