3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C20H20F3N3O2S — CID 157467308

IUPAC3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3N3O2S/c1-3-26-12-19(25-13-26)18-11-17(29(27,28)24-2)8-7-15(18)9-14-5-4-6-16(10-14)20(21,22)23/h4-8,10-13,24H,3,9H2,1-2H3
InChIKeyIRZFUUOGTDXYFX-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.09
Rot. Bonds6

About 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 157467308) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID157467308
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3N3O2S/c1-3-26-12-19(25-13-26)18-11-17(29(27,28)24-2)8-7-15(18)9-14-5-4-6-16(10-14)20(21,22)23/h4-8,10-13,24H,3,9H2,1-2H3
InChIKeyIRZFUUOGTDXYFX-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide with MolForge

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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
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
tert-Butylphenyl imidazolylphenyl sulfonamide
CID 3792751
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-(2-p-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134425
4-(2-m-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134426
4-(2-Phenyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10155819
4-[2-(4-Methyl-pyridin-2-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10156720
4-[2-(3-Fluoro-5-methyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10200928
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10310958
4-(2-o-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10385170

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 157467308) is 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is IRZFUUOGTDXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-3-26-12-19(25-13-26)18-11-17(29(27,28)24-2)8-7-15(18)9-14-5-4-6-16(10-14)20(21,22)23/h4-8,10-13,24H,3,9H2,1-2H3.
What are the key properties of 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 423.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 157467308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).