About N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 162651437) has the molecular formula C29H24F3N5O3S
and a molecular weight of 579.60 g/mol. Its IUPAC name is N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide.
Molecular Properties
| Compound Name | N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide |
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| PubChem CID | 162651437 |
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| Molecular Formula | C29H24F3N5O3S |
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| Molecular Weight | 579.60 g/mol |
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| Exact Mass | 579.16 |
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| IUPAC Name | N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide |
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| SMILES | O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1 |
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| InChI | InChI=1S/C29H24F3N5O3S/c30-29(31,32)22-9-11-24(12-10-22)41(39,40)35-16-15-34-25-18-21(13-14-33-25)27-26(20-7-4-8-23(38)17-20)36-28(37-27)19-5-2-1-3-6-19/h1-14,17-18,35,38H,15-16H2,(H,33,34)(H,36,37) |
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| InChIKey | NAENROKIPPSKSN-UHFFFAOYSA-N |
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| XLogP | 5.92 |
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| TPSA | 120.00 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 579.60 |
| LogP ≤ 5 | 5.92 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 162651437) is N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NAENROKIPPSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O3S/c30-29(31,32)22-9-11-24(12-10-22)41(39,40)35-16-15-34-25-18-21(13-14-33-25)27-26(20-7-4-8-23(38)17-20)36-28(37-27)19-5-2-1-3-6-19/h1-14,17-18,35,38H,15-16H2,(H,33,34)(H,36,37).
What are the key properties of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 579.60 g/mol, XLogP of 5.92, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162651437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).