5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide

C18H16BrClFN3O2S — CID 122596060

About 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide

5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 122596060) has the molecular formula C18H16BrClFN3O2S and a molecular weight of 472.77 g/mol. Its IUPAC name is 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 122596060
• Molecular Formula: C18H16BrClFN3O2S
• Molecular Weight: 472.77 g/mol
• Exact Mass: 470.98
• IUPAC Name: 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1cc(-c2ncc(-c3ccc(Br)c(F)c3)[nH]2)ccc1Cl
• InChI: InChI=1S/C18H16BrClFN3O2S/c1-10(2)24-27(25,26)17-8-12(4-6-14(17)20)18-22-9-16(23-18)11-3-5-13(19)15(21)7-11/h3-10,24H,1-2H3,(H,22,23)
• InChIKey: ZIDQYTUKCICQIU-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.77
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide (CID 122596060) is 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cc(-c2ncc(-c3ccc(Br)c(F)c3)[nH]2)ccc1Cl.

What is the InChIKey of 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide?

The InChIKey is ZIDQYTUKCICQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClFN3O2S/c1-10(2)24-27(25,26)17-8-12(4-6-14(17)20)18-22-9-16(23-18)11-3-5-13(19)15(21)7-11/h3-10,24H,1-2H3,(H,22,23).

What are the key properties of 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide?

5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 472.77 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 122596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).