About 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5472415) has the molecular formula C25H17ClN4O3S2
and a molecular weight of 521.02 g/mol. Its IUPAC name is 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
Molecular Properties
| Compound Name | 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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| PubChem CID | 5472415 |
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| Molecular Formula | C25H17ClN4O3S2 |
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| Molecular Weight | 521.02 g/mol |
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| Exact Mass | 520.04 |
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| IUPAC Name | 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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| SMILES | O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
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| InChI | InChI=1S/C25H17ClN4O3S2/c26-19-8-6-17(7-9-19)16-22-24(31)30(23(28-22)18-4-2-1-3-5-18)20-10-12-21(13-11-20)35(32,33)29-25-27-14-15-34-25/h1-16H,(H,27,29)/b22-16- |
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| InChIKey | AIJYZGNYBPFQQG-JWGURIENSA-N |
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| XLogP | 5.43 |
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| TPSA | 91.73 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 521.02 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 5472415) is 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AIJYZGNYBPFQQG-JWGURIENSA-N. The full InChI is InChI=1S/C25H17ClN4O3S2/c26-19-8-6-17(7-9-19)16-22-24(31)30(23(28-22)18-4-2-1-3-5-18)20-10-12-21(13-11-20)35(32,33)29-25-27-14-15-34-25/h1-16H,(H,27,29)/b22-16-.
What are the key properties of 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 521.02 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5472415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).