2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C23H18F3N3O3S — CID 24757994

IUPAC2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OCC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)14-32-17-9-5-15(6-10-17)7-12-22-28-19-11-8-16(13-20(19)29-22)18-3-1-2-4-21(18)33(27,30)31/h1-13H,14H2,(H,28,29)(H2,27,30,31)/b12-7+
InChIKeyJZJGCHDTJCCZJK-KPKJPENVSA-N
MW473.48 g/mol
LogP4.99
Rot. Bonds6

About 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 24757994) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID24757994
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC Name2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OCC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)14-32-17-9-5-15(6-10-17)7-12-22-28-19-11-8-16(13-20(19)29-22)18-3-1-2-4-21(18)33(27,30)31/h1-13H,14H2,(H,28,29)(H2,27,30,31)/b12-7+
InChIKeyJZJGCHDTJCCZJK-KPKJPENVSA-N
XLogP4.99
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 24757994) is 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OCC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JZJGCHDTJCCZJK-KPKJPENVSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c24-23(25,26)14-32-17-9-5-15(6-10-17)7-12-22-28-19-11-8-16(13-20(19)29-22)18-3-1-2-4-21(18)33(27,30)31/h1-13H,14H2,(H,28,29)(H2,27,30,31)/b12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 24757994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).