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

C24H24N4O2S — CID 1400516

IUPACN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H24N4O2S/c1-15-9-10-18(4)22(14-15)31(29,30)28-24-23(25-19-12-16(2)11-17(3)13-19)26-20-7-5-6-8-21(20)27-24/h5-14H,1-4H3,(H,25,26)(H,27,28)
InChIKeyQYUNEBGWHRWZGO-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.41
Rot. Bonds5

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

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 1400516) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID1400516
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H24N4O2S/c1-15-9-10-18(4)22(14-15)31(29,30)28-24-23(25-19-12-16(2)11-17(3)13-19)26-20-7-5-6-8-21(20)27-24/h5-14H,1-4H3,(H,25,26)(H,27,28)
InChIKeyQYUNEBGWHRWZGO-UHFFFAOYSA-N
XLogP5.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 3389592
2,5-dimethyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1398272
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(4-bromoanilino)quinoxalin-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 4548327
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-[(2,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 174548624
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide (CID 1400516) is N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QYUNEBGWHRWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-9-10-18(4)22(14-15)31(29,30)28-24-23(25-19-12-16(2)11-17(3)13-19)26-20-7-5-6-8-21(20)27-24/h5-14H,1-4H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide?
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 1400516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).