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

C22H16F3N3O3S — CID 58381102

IUPAC2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H16F3N3O3S/c23-22(24,25)31-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)32(26,29)30/h1-13H,(H,27,28)(H2,26,29,30)/b12-7+
InChIKeyOEDVPJOHKMEERN-KPKJPENVSA-N
MW459.45 g/mol
LogP4.95
Rot. Bonds5

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

2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 58381102) has the molecular formula C22H16F3N3O3S and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID58381102
Molecular FormulaC22H16F3N3O3S
Molecular Weight459.45 g/mol
Exact Mass459.09
IUPAC Name2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H16F3N3O3S/c23-22(24,25)31-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)32(26,29)30/h1-13H,(H,27,28)(H2,26,29,30)/b12-7+
InChIKeyOEDVPJOHKMEERN-KPKJPENVSA-N
XLogP4.95
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
N-(2-(4-phenoxybenzyl)benzimidazol-5-yl)methanesulfonamide
CID 9865365
3-[5-(2-Fluoro-6-trifluoromethoxyphenyl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
CID 135883310
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 9825245
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]propane-1-sulfonamide
CID 9828572
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]ethanesulfonamide
CID 9849584
2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-sulfonic acid amide
CID 9925320
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile
CID 11244256
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]propane-2-sulfonamide
CID 11247204
N-methyl-N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanesulfonamide
CID 11373160
2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazole
CID 14145040

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 58381102) is 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is OEDVPJOHKMEERN-KPKJPENVSA-N. The full InChI is InChI=1S/C22H16F3N3O3S/c23-22(24,25)31-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)32(26,29)30/h1-13H,(H,27,28)(H2,26,29,30)/b12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 459.45 g/mol, XLogP of 4.95, 5 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-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 58381102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).