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

C23H15F6N3O2S — CID 59251379

IUPAC3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C23H15F6N3O2S/c24-22(25,26)19-7-2-1-6-18(19)21-31-20(23(27,28)29)13-32(21)16-10-8-14(9-11-16)15-4-3-5-17(12-15)35(30,33)34/h1-13H,(H2,30,33,34)
InChIKeyFZRVEEOOMVZULC-UHFFFAOYSA-N
MW511.45 g/mol
LogP5.89
Rot. Bonds4

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

3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 59251379) has the molecular formula C23H15F6N3O2S and a molecular weight of 511.45 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
PubChem CID59251379
Molecular FormulaC23H15F6N3O2S
Molecular Weight511.45 g/mol
Exact Mass511.08
IUPAC Name3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C23H15F6N3O2S/c24-22(25,26)19-7-2-1-6-18(19)21-31-20(23(27,28)29)13-32(21)16-10-8-14(9-11-16)15-4-3-5-17(12-15)35(30,33)34/h1-13H,(H2,30,33,34)
InChIKeyFZRVEEOOMVZULC-UHFFFAOYSA-N
XLogP5.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59251628
3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 18673561
2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
methyl-methylidene-[3-[4-[4-(4-methylthiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenyl]-oxo-λ6-sulfane
CID 163561281
ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 159776110
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[4-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]propan-2-ol
CID 59251617
4-(4-isocyanooxan-4-yl)-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59240168
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 162556159
2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251460
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide (CID 59251379) is 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is FZRVEEOOMVZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O2S/c24-22(25,26)19-7-2-1-6-18(19)21-31-20(23(27,28)29)13-32(21)16-10-8-14(9-11-16)15-4-3-5-17(12-15)35(30,33)34/h1-13H,(H2,30,33,34).
What are the key properties of 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide?
3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 511.45 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 59251379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).