About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide (PubChem CID 150748595) has the molecular formula C27H16Cl2F3N3O5S2
and a molecular weight of 654.48 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide.
Molecular Properties
| Compound Name | 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide |
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| PubChem CID | 150748595 |
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| Molecular Formula | C27H16Cl2F3N3O5S2 |
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| Molecular Weight | 654.48 g/mol |
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| Exact Mass | 652.99 |
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| IUPAC Name | 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide |
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| SMILES | O=C(Nc1ccc(Oc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 |
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| InChI | InChI=1S/C27H16Cl2F3N3O5S2/c28-15-1-9-20(10-2-15)42(37,38)35-22-11-3-16(29)13-21(22)25(36)33-17-4-6-18(7-5-17)39-26-34-23-12-8-19(14-24(23)41-26)40-27(30,31)32/h1-14,35H,(H,33,36) |
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| InChIKey | JVJLDOORXNCJIG-UHFFFAOYSA-N |
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| XLogP | 8.35 |
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| TPSA | 106.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 654.48 |
| LogP ≤ 5 | 8.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide (CID 150748595) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?
The InChIKey is JVJLDOORXNCJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2F3N3O5S2/c28-15-1-9-20(10-2-15)42(37,38)35-22-11-3-16(29)13-21(22)25(36)33-17-4-6-18(7-5-17)39-26-34-23-12-8-19(14-24(23)41-26)40-27(30,31)32/h1-14,35H,(H,33,36).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide has a molecular weight of 654.48 g/mol, XLogP of 8.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 150748595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).