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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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).