N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide

C24H24N4O6S — CID 140566854

IUPACN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2CON(OC)S(=O)(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C24H24N4O6S/c1-31-18-13-17(14-19(15-18)32-2)25-24-23(26-21-11-7-8-12-22(21)27-24)16-34-28(33-3)35(29,30)20-9-5-4-6-10-20/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyPASZHXFGVPDOFY-UHFFFAOYSA-N
MW496.55 g/mol
LogP4.07
Rot. Bonds10

About N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide

N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide (PubChem CID 140566854) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
PubChem CID140566854
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC NameN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2CON(OC)S(=O)(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C24H24N4O6S/c1-31-18-13-17(14-19(15-18)32-2)25-24-23(26-21-11-7-8-12-22(21)27-24)16-34-28(33-3)35(29,30)20-9-5-4-6-10-20/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyPASZHXFGVPDOFY-UHFFFAOYSA-N
XLogP4.07
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 90796373
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
CID 58274510
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 58274225
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-1-(1-methylpyrrol-2-yl)ethanone
CID 58274231
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide?
The IUPAC name of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide (CID 140566854) is N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide?
The canonical SMILES for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide is COc1cc(Nc2nc3ccccc3nc2CON(OC)S(=O)(=O)c2ccccc2)cc(OC)c1.
What is the InChIKey of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide?
The InChIKey is PASZHXFGVPDOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-31-18-13-17(14-19(15-18)32-2)25-24-23(26-21-11-7-8-12-22(21)27-24)16-34-28(33-3)35(29,30)20-9-5-4-6-10-20/h4-15H,16H2,1-3H3,(H,25,27).
What are the key properties of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide?
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide has a molecular weight of 496.55 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide is sourced from PubChem (CID 140566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).