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

C18H16F3N3O2S — CID 59532168

IUPAC4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(C(F)(F)F)nc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-14(12)10-24-11-16(18(19,20)21)23-17(24)13-6-8-15(9-7-13)27(22,25)26/h2-9,11H,10H2,1H3,(H2,22,25,26)
InChIKeyHXQVCAOANMWRSF-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.57
Rot. Bonds4

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

4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (PubChem CID 59532168) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
PubChem CID59532168
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(C(F)(F)F)nc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-14(12)10-24-11-16(18(19,20)21)23-17(24)13-6-8-15(9-7-13)27(22,25)26/h2-9,11H,10H2,1H3,(H2,22,25,26)
InChIKeyHXQVCAOANMWRSF-UHFFFAOYSA-N
XLogP3.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.57
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
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
6-Methyl-2-[4-(piperidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 2909198
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
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (CID 59532168) is 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is Cc1ccccc1Cn1cc(C(F)(F)F)nc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The InChIKey is HXQVCAOANMWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-14(12)10-24-11-16(18(19,20)21)23-17(24)13-6-8-15(9-7-13)27(22,25)26/h2-9,11H,10H2,1H3,(H2,22,25,26).
What are the key properties of 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 59532168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).