N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide

C22H19FN4O3S — CID 70906976

IUPACN-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(CF)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19FN4O3S/c1-30-17-12-15(14-23)11-16(13-17)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(28,29)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyZAHOYPYGGFKNQU-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.65
Rot. Bonds7

About N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 70906976) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID70906976
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(CF)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19FN4O3S/c1-30-17-12-15(14-23)11-16(13-17)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(28,29)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyZAHOYPYGGFKNQU-UHFFFAOYSA-N
XLogP4.65
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-[3-methoxy-5-(methoxymethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 24994381
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 90796373
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide (CID 70906976) is N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide is COc1cc(CF)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is ZAHOYPYGGFKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-30-17-12-15(14-23)11-16(13-17)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(28,29)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 438.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 70906976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).