3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide

C22H19ClN4O3S — CID 68745683

IUPAC3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nc3ccccc3nc2-c2cccc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C22H19ClN4O3S/c1-13-15(6-5-9-20(13)31(24,28)29)21-22(26-18-8-4-3-7-17(18)25-21)27-19-12-14(30-2)10-11-16(19)23/h3-12H,1-2H3,(H,26,27)(H2,24,28,29)
InChIKeyUMGUOYSPUQTPPS-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.66
Rot. Bonds5

About 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide

3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide (PubChem CID 68745683) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide
PubChem CID68745683
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nc3ccccc3nc2-c2cccc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C22H19ClN4O3S/c1-13-15(6-5-9-20(13)31(24,28)29)21-22(26-18-8-4-3-7-17(18)25-21)27-19-12-14(30-2)10-11-16(19)23/h3-12H,1-2H3,(H,26,27)(H2,24,28,29)
InChIKeyUMGUOYSPUQTPPS-UHFFFAOYSA-N
XLogP4.66
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 69084132
(2S)-2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylphenyl]propanamide
CID 59249126
2-(aminomethyl)-N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-6-(methylamino)benzenesulfonamide
CID 175284947
(2S)-2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
CID 59249211
2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide
CID 66617433
N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-3-(dimethylaminocarbamoyl)benzenesulfonamide
CID 57448635
N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-3-[3-methyl-3-(methylamino)-2-oxobutyl]benzenesulfonamide
CID 58274387
[[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-(dimethylamino)methylidene]-dimethylazanium
CID 57448676
[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-[5-[[dimethylamino(dimethylazaniumylidene)methyl]amino]-2-methylphenyl]sulfonylazanide
CID 59249045
2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride
CID 66617370
N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide
CID 59249132
3-(3-aminopiperidine-1-carbonyl)-N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448633

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide (CID 68745683) is 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide is COc1ccc(Cl)c(Nc2nc3ccccc3nc2-c2cccc(S(N)(=O)=O)c2C)c1.
What is the InChIKey of 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is UMGUOYSPUQTPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-13-15(6-5-9-20(13)31(24,28)29)21-22(26-18-8-4-3-7-17(18)25-21)27-19-12-14(30-2)10-11-16(19)23/h3-12H,1-2H3,(H,26,27)(H2,24,28,29).
What are the key properties of 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide?
3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 68745683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).