N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide

C24H24N4O4S — CID 1402865

IUPACN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1
InChIInChI=1S/C24H24N4O4S/c1-15-9-10-20(11-16(15)2)33(29,30)28-24-23(26-21-7-5-6-8-22(21)27-24)25-17-12-18(31-3)14-19(13-17)32-4/h5-14H,1-4H3,(H,25,26)(H,27,28)
InChIKeyRVHHRAPXLSYARB-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.81
Rot. Bonds7

About N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide

N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 1402865) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID1402865
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1
InChIInChI=1S/C24H24N4O4S/c1-15-9-10-20(11-16(15)2)33(29,30)28-24-23(26-21-7-5-6-8-22(21)27-24)25-17-12-18(31-3)14-19(13-17)32-4/h5-14H,1-4H3,(H,25,26)(H,27,28)
InChIKeyRVHHRAPXLSYARB-UHFFFAOYSA-N
XLogP4.81
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-(4-ethylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1398671
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-(propan-2-ylamino)benzenesulfonamide
CID 174548611
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-[(2,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 174548624

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide (CID 1402865) is N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is RVHHRAPXLSYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15-9-10-20(11-16(15)2)33(29,30)28-24-23(26-21-7-5-6-8-22(21)27-24)25-17-12-18(31-3)14-19(13-17)32-4/h5-14H,1-4H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1402865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).