4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide

C22H19FN4O3S — CID 1385919

IUPAC4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3S/c1-30-17-10-6-15(7-11-17)14-24-21-22(26-20-5-3-2-4-19(20)25-21)27-31(28,29)18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyBRUIRXRNXKMBLT-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.19
Rot. Bonds7

About 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide

4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1385919) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID1385919
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3S/c1-30-17-10-6-15(7-11-17)14-24-21-22(26-20-5-3-2-4-19(20)25-21)27-31(28,29)18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyBRUIRXRNXKMBLT-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (CID 1385919) is 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is BRUIRXRNXKMBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-30-17-10-6-15(7-11-17)14-24-21-22(26-20-5-3-2-4-19(20)25-21)27-31(28,29)18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 438.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1385919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).