About N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide
N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 58231295) has the molecular formula C32H24Cl2F3N3O2S
and a molecular weight of 642.53 g/mol. Its IUPAC name is N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide |
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| PubChem CID | 58231295 |
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| Molecular Formula | C32H24Cl2F3N3O2S |
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| Molecular Weight | 642.53 g/mol |
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| Exact Mass | 641.09 |
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| IUPAC Name | N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide |
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| SMILES | CS(=O)(=O)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 |
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| InChI | InChI=1S/C32H24Cl2F3N3O2S/c1-43(41,42)39-27-14-4-22(5-15-27)19-40-20-30(28-16-13-26(33)18-29(28)34)38-31(40)17-6-21-2-7-23(8-3-21)24-9-11-25(12-10-24)32(35,36)37/h2-18,20,39H,19H2,1H3/b17-6+ |
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| InChIKey | QVUFTJZUNXUUEW-UBKPWBPPSA-N |
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| XLogP | 9.13 |
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| TPSA | 63.99 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 642.53 |
| LogP ≤ 5 | 9.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide (CID 58231295) is N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is QVUFTJZUNXUUEW-UBKPWBPPSA-N. The full InChI is InChI=1S/C32H24Cl2F3N3O2S/c1-43(41,42)39-27-14-4-22(5-15-27)19-40-20-30(28-16-13-26(33)18-29(28)34)38-31(40)17-6-21-2-7-23(8-3-21)24-9-11-25(12-10-24)32(35,36)37/h2-18,20,39H,19H2,1H3/b17-6+.
What are the key properties of N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 642.53 g/mol, XLogP of 9.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 58231295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).