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

C24H20N6O2S — CID 25270967

IUPAC4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C24H20N6O2S/c25-33(31,32)18-8-4-16(5-9-18)6-11-22-29-23(24(30-22)20-3-1-2-12-26-20)17-7-10-19-21(15-17)28-14-13-27-19/h1-5,7-10,12-15H,6,11H2,(H,29,30)(H2,25,31,32)
InChIKeyCENHLZDBMZGFOV-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.51
Rot. Bonds6

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

4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 25270967) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID25270967
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC Name4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C24H20N6O2S/c25-33(31,32)18-8-4-16(5-9-18)6-11-22-29-23(24(30-22)20-3-1-2-12-26-20)17-7-10-19-21(15-17)28-14-13-27-19/h1-5,7-10,12-15H,6,11H2,(H,29,30)(H2,25,31,32)
InChIKeyCENHLZDBMZGFOV-UHFFFAOYSA-N
XLogP3.51
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide (CID 25270967) is 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CENHLZDBMZGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c25-33(31,32)18-8-4-16(5-9-18)6-11-22-29-23(24(30-22)20-3-1-2-12-26-20)17-7-10-19-21(15-17)28-14-13-27-19/h1-5,7-10,12-15H,6,11H2,(H,29,30)(H2,25,31,32).
What are the key properties of 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide?
4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyridin-2-yl-4-quinoxalin-6-yl-1H-imidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25270967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).