4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H20N4O3S — CID 1398612

IUPAC4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-15-7-9-16(10-8-15)23-21-22(25-20-6-4-3-5-19(20)24-21)26-30(27,28)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyAIQDWTYFPDABNX-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.49
Rot. Bonds6

About 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide

4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1398612) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1398612
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-15-7-9-16(10-8-15)23-21-22(25-20-6-4-3-5-19(20)24-21)26-30(27,28)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyAIQDWTYFPDABNX-UHFFFAOYSA-N
XLogP4.49
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1398612) is 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is AIQDWTYFPDABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15-7-9-16(10-8-15)23-21-22(25-20-6-4-3-5-19(20)24-21)26-30(27,28)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1398612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).