4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide

C23H18N6O2S — CID 25269613

IUPAC4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N6O2S/c24-32(30,31)17-7-4-15(5-8-17)13-21-28-22(23(29-21)19-3-1-2-10-25-19)16-6-9-18-20(14-16)27-12-11-26-18/h1-12,14H,13H2,(H,28,29)(H2,24,30,31)
InChIKeyWFGRPLSXXZOQQY-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.32
Rot. Bonds5

About 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide

4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 25269613) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide
PubChem CID25269613
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC Name4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N6O2S/c24-32(30,31)17-7-4-15(5-8-17)13-21-28-22(23(29-21)19-3-1-2-10-25-19)16-6-9-18-20(14-16)27-12-11-26-18/h1-12,14H,13H2,(H,28,29)(H2,24,30,31)
InChIKeyWFGRPLSXXZOQQY-UHFFFAOYSA-N
XLogP3.32
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide (CID 25269613) is 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is WFGRPLSXXZOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c24-32(30,31)17-7-4-15(5-8-17)13-21-28-22(23(29-21)19-3-1-2-10-25-19)16-6-9-18-20(14-16)27-12-11-26-18/h1-12,14H,13H2,(H,28,29)(H2,24,30,31).
What are the key properties of 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).