N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide

C22H19FN4O3S — CID 1398916

IUPACN-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3S/c1-2-30-17-11-9-16(10-12-17)24-21-22(26-20-6-4-3-5-19(20)25-21)27-31(28,29)18-13-7-15(23)8-14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyJYSBCZFXMLRMNM-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.71
Rot. Bonds7

About N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide

N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 1398916) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
PubChem CID1398916
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3S/c1-2-30-17-11-9-16(10-12-17)24-21-22(26-20-6-4-3-5-19(20)25-21)27-31(28,29)18-13-7-15(23)8-14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyJYSBCZFXMLRMNM-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
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
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide (CID 1398916) is N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide is CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is JYSBCZFXMLRMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-2-30-17-11-9-16(10-12-17)24-21-22(26-20-6-4-3-5-19(20)25-21)27-31(28,29)18-13-7-15(23)8-14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide?
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 438.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1398916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).