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

C21H15F2N3O2S — CID 67165672

IUPAC2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyQONNZZIAUNKZJE-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.33
Rot. Bonds4

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

2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 67165672) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID67165672
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyQONNZZIAUNKZJE-UHFFFAOYSA-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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Related Compounds

2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008051
2-[2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007864
2-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007906
2-[2-[2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165606
2-[2-[2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165745
2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165165
2-[2-[2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67165611
2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381211
2-[2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165848
2-[2-[(E)-2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 159489427
2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67164796
2-[2-[2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67166160

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 67165672) is 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is QONNZZIAUNKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-(2,3-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-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).