2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C23H18F3N3O2S — CID 58381211

IUPAC2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2S/c1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31/h2-13H,1H3,(H,28,29)(H2,27,30,31)/b9-6+
InChIKeyRDYFOFUMCGWBGT-RMKNXTFCSA-N
MW457.48 g/mol
LogP5.37
Rot. Bonds4

About 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 58381211) has the molecular formula C23H18F3N3O2S and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID58381211
Molecular FormulaC23H18F3N3O2S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC Name2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2S/c1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31/h2-13H,1H3,(H,28,29)(H2,27,30,31)/b9-6+
InChIKeyRDYFOFUMCGWBGT-RMKNXTFCSA-N
XLogP5.37
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.37
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-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 58381211) is 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1cc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is RDYFOFUMCGWBGT-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H18F3N3O2S/c1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31/h2-13H,1H3,(H,28,29)(H2,27,30,31)/b9-6+.
What are the key properties of 2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 457.48 g/mol, XLogP of 5.37, 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-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 58381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).