N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H20N4O2S — CID 2339194

IUPACN-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2S/c1-2-16-12-14-17(15-13-16)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyYPHDHEKLCYRSCA-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.74
Rot. Bonds6

About N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2339194) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2339194
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2S/c1-2-16-12-14-17(15-13-16)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyYPHDHEKLCYRSCA-UHFFFAOYSA-N
XLogP4.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

XL147
CID 1893730
N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
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-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
N-[4-[[3-(naphthalen-2-ylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1889577
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2096996
N-(3-chloro-2-quinoxalinyl)-2-naphthalenesulfonamide
CID 2405538
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 2339194) is N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide is CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is YPHDHEKLCYRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-2-16-12-14-17(15-13-16)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2339194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).