N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide

C22H20N4O4S — CID 155805211

IUPACN-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3[nH]c2=O)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-3-10-18(11-4-14)31(28,29)26-16-7-12-19-20(13-16)25-22(27)21(24-19)23-15-5-8-17(30-2)9-6-15/h3-13,26H,1-2H3,(H,23,24)(H,25,27)
InChIKeyZAVOEXWXZYIZNG-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide

N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 155805211) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
PubChem CID155805211
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3[nH]c2=O)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-3-10-18(11-4-14)31(28,29)26-16-7-12-19-20(13-16)25-22(27)21(24-19)23-15-5-8-17(30-2)9-6-15/h3-13,26H,1-2H3,(H,23,24)(H,25,27)
InChIKeyZAVOEXWXZYIZNG-UHFFFAOYSA-N
XLogP3.78
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 17138634
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (CID 155805211) is N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is COc1ccc(Nc2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3[nH]c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZAVOEXWXZYIZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-14-3-10-18(11-4-14)31(28,29)26-16-7-12-19-20(13-16)25-22(27)21(24-19)23-15-5-8-17(30-2)9-6-15/h3-13,26H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 436.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155805211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).