4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C17H14F3N3O2S — CID 10134426

IUPAC4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyLGLNOLKJZSIGPL-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.51
Rot. Bonds3

About 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10134426) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10134426
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyLGLNOLKJZSIGPL-UHFFFAOYSA-N
XLogP3.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
3-(imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 664793
4-(2-Pyridin-3-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 9799387
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
2-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9947371

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10134426) is 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is LGLNOLKJZSIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10134426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).