4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide

C22H15ClF3N3O3S — CID 22998138

IUPAC4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3N3O3S/c23-16-5-7-17(8-6-16)29-13-20(14-1-9-18(10-2-14)32-22(24,25)26)28-21(29)15-3-11-19(12-4-15)33(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyUYNIOKJSMJFBLZ-UHFFFAOYSA-N
MW493.89 g/mol
LogP5.41
Rot. Bonds5

About 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide

4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide (PubChem CID 22998138) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide
PubChem CID22998138
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC Name4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3N3O3S/c23-16-5-7-17(8-6-16)29-13-20(14-1-9-18(10-2-14)32-22(24,25)26)28-21(29)15-3-11-19(12-4-15)33(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyUYNIOKJSMJFBLZ-UHFFFAOYSA-N
XLogP5.41
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.89
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
CID 22998055
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
CID 22998004
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
CID 142958781
4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
CID 22997783
4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide
CID 19963383
4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide
CID 22997947
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22148960
4-[2-(3-chloro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22643554
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide (CID 22998138) is 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide?
The InChIKey is UYNIOKJSMJFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c23-16-5-7-17(8-6-16)29-13-20(14-1-9-18(10-2-14)32-22(24,25)26)28-21(29)15-3-11-19(12-4-15)33(27,30)31/h1-13H,(H2,27,30,31).
What are the key properties of 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide has a molecular weight of 493.89 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22998138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).