4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide

C22H16F3N3O2S — CID 174539467

IUPAC4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)20-12-16(6-11-19(20)15-4-2-1-3-5-15)21-13-28(14-27-21)17-7-9-18(10-8-17)31(26,29)30/h1-14H,(H2,26,29,30)
InChIKeyHOSQIURLKBFTQQ-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.87
Rot. Bonds4

About 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide

4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide (PubChem CID 174539467) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide
PubChem CID174539467
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)20-12-16(6-11-19(20)15-4-2-1-3-5-15)21-13-28(14-27-21)17-7-9-18(10-8-17)31(26,29)30/h1-14H,(H2,26,29,30)
InChIKeyHOSQIURLKBFTQQ-UHFFFAOYSA-N
XLogP4.87
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-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

4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085974
3-[7-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 174690446
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
3-[1-[4-(3,4-difluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]benzenesulfonamide
CID 57469076
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
4-[4,5-difluoro-2-[4-methyl-3,5-bis(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451284
4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10738721
1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
CID 58831048
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 54612981
4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
CID 59251379
4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
CID 19041287

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide (CID 174539467) is 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cnc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide?
The InChIKey is HOSQIURLKBFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)20-12-16(6-11-19(20)15-4-2-1-3-5-15)21-13-28(14-27-21)17-7-9-18(10-8-17)31(26,29)30/h1-14H,(H2,26,29,30).
What are the key properties of 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide?
4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide has a molecular weight of 443.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-phenyl-3-(trifluoromethyl)phenyl]imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 174539467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).