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

C21H15F2N3O2S — CID 59008051

IUPAC2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)ccc3F)[nH]c2c1
InChIInChI=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+
InChIKeyGOGJSMQYYQBVHM-UXBLZVDNSA-N
MW411.43 g/mol
LogP4.33
Rot. Bonds4

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 Name2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59008051
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)ccc3F)[nH]c2c1
InChIInChI=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+
InChIKeyGOGJSMQYYQBVHM-UXBLZVDNSA-N
XLogP4.33
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).