2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C21H15F2N3O2S — CID 59008051

About 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59008051) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
• PubChem CID: 59008051
• Molecular Formula: C21H15F2N3O2S
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.09
• IUPAC Name: 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)ccc3F)[nH]c2c1
• InChI: InChI=1S/C21H15F2N3O2S/c22-15-7-8-17(23)14(11-15)6-10-21-25-18-9-5-13(12-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)/b10-6+
• InChIKey: GOGJSMQYYQBVHM-UXBLZVDNSA-N
• XLogP: 4.33
• TPSA: 88.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?

The IUPAC name of 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59008051) is 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

What is the SMILES notation for 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?

The canonical SMILES for 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)ccc3F)[nH]c2c1.

What is the InChIKey of 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?

The InChIKey is GOGJSMQYYQBVHM-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c22-15-7-8-17(23)14(11-15)6-10-21-25-18-9-5-13(12-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)/b10-6+.

What are the key properties of 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?

2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 411.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59008051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).