N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

C22H19N3O3S — CID 56663385

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-7-13-18(14-8-15)29(26,27)22-21(23-16-9-11-17(28-2)12-10-16)24-19-5-3-4-6-20(19)25-22/h3-14H,1-2H3,(H,23,24)
InChIKeyCLZJIKHCALITLZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.52
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56663385) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
PubChem CID56663385
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-7-13-18(14-8-15)29(26,27)22-21(23-16-9-11-17(28-2)12-10-16)24-19-5-3-4-6-20(19)25-22/h3-14H,1-2H3,(H,23,24)
InChIKeyCLZJIKHCALITLZ-UHFFFAOYSA-N
XLogP4.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 1327287
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 56659927
3-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56663396
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56666816
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 56670251
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 56680380
3-[[3-(4-Methylphenyl)sulfonylquinoxalin-2-yl]amino]phenol
CID 56680409
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419
3-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,3-diamine
CID 56680420

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (CID 56663385) is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is CLZJIKHCALITLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-7-13-18(14-8-15)29(26,27)22-21(23-16-9-11-17(28-2)12-10-16)24-19-5-3-4-6-20(19)25-22/h3-14H,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine has a molecular weight of 405.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56663385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).