About 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide (PubChem CID 58531615) has the molecular formula C34H26Cl2FNO4S
and a molecular weight of 634.56 g/mol. Its IUPAC name is 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide.
Molecular Properties
| Compound Name | 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide |
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| PubChem CID | 58531615 |
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| Molecular Formula | C34H26Cl2FNO4S |
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| Molecular Weight | 634.56 g/mol |
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| Exact Mass | 633.09 |
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| IUPAC Name | 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide |
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| SMILES | O=C(Cc1ccccc1)c1cc(Cl)c(O)c(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1 |
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| InChI | InChI=1S/C34H26Cl2FNO4S/c35-29-13-11-26(12-14-29)27-8-4-7-25(17-27)22-38(21-24-9-15-30(37)16-10-24)43(41,42)33-20-28(19-31(36)34(33)40)32(39)18-23-5-2-1-3-6-23/h1-17,19-20,40H,18,21-22H2 |
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| InChIKey | QFTPUVPMMALYSH-UHFFFAOYSA-N |
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| XLogP | 8.32 |
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| TPSA | 74.68 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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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 | 634.56 |
| LogP ≤ 5 | 8.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide (CID 58531615) is 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide is O=C(Cc1ccccc1)c1cc(Cl)c(O)c(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide?
The InChIKey is QFTPUVPMMALYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2FNO4S/c35-29-13-11-26(12-14-29)27-8-4-7-25(17-27)22-38(21-24-9-15-30(37)16-10-24)43(41,42)33-20-28(19-31(36)34(33)40)32(39)18-23-5-2-1-3-6-23/h1-17,19-20,40H,18,21-22H2.
What are the key properties of 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide?
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide has a molecular weight of 634.56 g/mol, XLogP of 8.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide is sourced from PubChem (CID 58531615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).