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

C23H22N4O3S — CID 1392214

IUPACN-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H22N4O3S/c1-3-16-8-4-5-9-19(16)24-22-23(26-21-11-7-6-10-20(21)25-22)27-31(28,29)18-14-12-17(30-2)13-15-18/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyUIUYQMVXMSNAOQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.75
Rot. Bonds7

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

N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 1392214) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
PubChem CID1392214
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H22N4O3S/c1-3-16-8-4-5-9-19(16)24-22-23(26-21-11-7-6-10-20(21)25-22)27-31(28,29)18-14-12-17(30-2)13-15-18/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyUIUYQMVXMSNAOQ-UHFFFAOYSA-N
XLogP4.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (CID 1392214) is N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is UIUYQMVXMSNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-3-16-8-4-5-9-19(16)24-22-23(26-21-11-7-6-10-20(21)25-22)27-31(28,29)18-14-12-17(30-2)13-15-18/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1392214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).