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

C23H20ClN4O3S- — CID 2036399

IUPAC[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
SMILESCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C23H20ClN4O3S/c1-14-8-10-17(12-15(14)2)32(29,30)28-23-22(26-19-6-4-5-7-20(19)27-23)25-16-9-11-21(31-3)18(24)13-16/h4-13H,1-3H3,(H-,25,26,27,28)/q-1
InChIKeyLXDQHOASFVNLMM-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.05
Rot. Bonds6

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

[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (PubChem CID 2036399) has the molecular formula C23H20ClN4O3S- and a molecular weight of 467.96 g/mol. Its IUPAC name is [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.

Molecular Properties

Compound Name[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
PubChem CID2036399
Molecular FormulaC23H20ClN4O3S-
Molecular Weight467.96 g/mol
Exact Mass467.10
IUPAC Name[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
SMILESCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C23H20ClN4O3S/c1-14-8-10-17(12-15(14)2)32(29,30)28-23-22(26-19-6-4-5-7-20(19)27-23)25-16-9-11-21(31-3)18(24)13-16/h4-13H,1-3H3,(H-,25,26,27,28)/q-1
InChIKeyLXDQHOASFVNLMM-UHFFFAOYSA-N
XLogP6.05
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2032383
[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2011279
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
[3-(4-fluoroanilino)quinoxalin-2-yl]-(4-fluorophenyl)sulfonylazanide
CID 2019050
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448451
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-[5-[[dimethylamino(dimethylazaniumylidene)methyl]amino]-2-methylphenyl]sulfonylazanide
CID 59249045
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
CID 50765149
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The IUPAC name of [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (CID 2036399) is [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.
What is the SMILES notation for [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The canonical SMILES for [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl.
What is the InChIKey of [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
The InChIKey is LXDQHOASFVNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN4O3S/c1-14-8-10-17(12-15(14)2)32(29,30)28-23-22(26-19-6-4-5-7-20(19)27-23)25-16-9-11-21(31-3)18(24)13-16/h4-13H,1-3H3,(H-,25,26,27,28)/q-1.
What are the key properties of [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?
[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide has a molecular weight of 467.96 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is sourced from PubChem (CID 2036399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).