N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide

C16H12F3N3O3S — CID 2962121

IUPACN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESO=C1NC(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15(22-26(24,25)12-9-5-2-6-10-12)14(23)20-13(21-15)11-7-3-1-4-8-11/h1-10,22H,(H,20,21,23)
InChIKeyIQWGQXDBNMOLSF-UHFFFAOYSA-N
MW383.35 g/mol
LogP1.80
Rot. Bonds4

About N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide

N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (PubChem CID 2962121) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
PubChem CID2962121
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESO=C1NC(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15(22-26(24,25)12-9-5-2-6-10-12)14(23)20-13(21-15)11-7-3-1-4-8-11/h1-10,22H,(H,20,21,23)
InChIKeyIQWGQXDBNMOLSF-UHFFFAOYSA-N
XLogP1.80
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-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

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (CID 2962121) is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is O=C1NC(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The InChIKey is IQWGQXDBNMOLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)15(22-26(24,25)12-9-5-2-6-10-12)14(23)20-13(21-15)11-7-3-1-4-8-11/h1-10,22H,(H,20,21,23).
What are the key properties of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 2962121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).