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

C22H19N3O4S — CID 56677086

IUPACN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-28-16-9-7-15(8-10-16)23-21-22(25-20-6-4-3-5-19(20)24-21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24)
InChIKeySAMGUXJTGJSECB-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.22
Rot. Bonds6

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

N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56677086) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
PubChem CID56677086
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-28-16-9-7-15(8-10-16)23-21-22(25-20-6-4-3-5-19(20)24-21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24)
InChIKeySAMGUXJTGJSECB-UHFFFAOYSA-N
XLogP4.22
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
3-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,3-diamine
CID 56663362
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine (CID 56677086) is N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine is COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is SAMGUXJTGJSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-28-16-9-7-15(8-10-16)23-21-22(25-20-6-4-3-5-19(20)24-21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine has a molecular weight of 421.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56677086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).