N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H20N4O2S — CID 2405615

IUPACN-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N4O2S/c1-15-9-8-10-16(2)20(15)25-21-22(24-19-14-7-6-13-18(19)23-21)26-29(27,28)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyGYNYBQHVDIFLMJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.79
Rot. Bonds5

About N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2405615) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2405615
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N4O2S/c1-15-9-8-10-16(2)20(15)25-21-22(24-19-14-7-6-13-18(19)23-21)26-29(27,28)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyGYNYBQHVDIFLMJ-UHFFFAOYSA-N
XLogP4.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

XL147
CID 1893730
N-(2-quinolinyl)benzenesulfonamide
CID 2812450
4-methyl-N-quinolin-2-ylbenzenesulfonamide
CID 2812452
N-{4-[({3-[(4-aminophenyl)amino]-2-quinoxalinyl}amino)sulfonyl]phenyl}acetamide
CID 2314355
N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
4-[(Quinolin-2-ylamino)methyl]benzenesulfonamide
CID 4825855
N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
N-[4-[[3-(naphthalen-2-ylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1889577
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 2405615) is N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1cccc(C)c1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is GYNYBQHVDIFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-9-8-10-16(2)20(15)25-21-22(24-19-14-7-6-13-18(19)23-21)26-29(27,28)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2405615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).