4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide

C23H17N3O3S — CID 57013517

IUPAC4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c(-c3occ4ccccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3S/c24-30(27,28)18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)25-23(26-21)22-19-9-5-4-8-17(19)14-29-22/h1-14H,(H,25,26)(H2,24,27,28)
InChIKeyIQDAAYBVAOVUMK-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.80
Rot. Bonds4

About 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide

4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide (PubChem CID 57013517) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide
PubChem CID57013517
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c(-c3occ4ccccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3S/c24-30(27,28)18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)25-23(26-21)22-19-9-5-4-8-17(19)14-29-22/h1-14H,(H,25,26)(H2,24,27,28)
InChIKeyIQDAAYBVAOVUMK-UHFFFAOYSA-N
XLogP4.80
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide (CID 57013517) is 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c(-c3occ4ccccc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide?
The InChIKey is IQDAAYBVAOVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c24-30(27,28)18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)25-23(26-21)22-19-9-5-4-8-17(19)14-29-22/h1-14H,(H,25,26)(H2,24,27,28).
What are the key properties of 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide?
4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzofuran-1-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 57013517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).