2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
C80H68Cl5N9O12S4 — CID 158871770
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C21H18Cl2N2O3S.C21H19ClN2O3S.C20H17ClN2O3S.C18H14ClN3O3S/c1-13(2)29(27,28)15-7-8-16(19(23)12-15)21(26)25-14-6-9-18(22)17(11-14)20-5-3-4-10-24-20;1-14(2)28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(13-16)20-5-3-4-12-23-20;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-13H,1-2H3,(H,25,26);3-14H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23)
InChIKeyJBXXONXRYNMSNR-UHFFFAOYSA-N
MW1653.01 g/mol
LogP18.15
Rot. Bonds18
About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 158871770) has the molecular formula C80H68Cl5N9O12S4 and a molecular weight of 1653.01 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide.
Molecular Properties
| Compound Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide |
|---|---|
| PubChem CID | 158871770 |
| Molecular Formula | C80H68Cl5N9O12S4 |
| Molecular Weight | 1653.01 g/mol |
| Exact Mass | 1649.23 |
| IUPAC Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide |
| SMILES | CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1 |
| InChI | InChI=1S/C21H18Cl2N2O3S.C21H19ClN2O3S.C20H17ClN2O3S.C18H14ClN3O3S/c1-13(2)29(27,28)15-7-8-16(19(23)12-15)21(26)25-14-6-9-18(22)17(11-14)20-5-3-4-10-24-20;1-14(2)28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(13-16)20-5-3-4-12-23-20;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-13H,1-2H3,(H,25,26);3-14H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23) |
| InChIKey | JBXXONXRYNMSNR-UHFFFAOYSA-N |
| XLogP | 18.15 |
| TPSA | 317.41 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 110 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1653.01 |
| LogP ≤ 5 | 18.15 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide (CID 158871770) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is JBXXONXRYNMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S.C21H19ClN2O3S.C20H17ClN2O3S.C18H14ClN3O3S/c1-13(2)29(27,28)15-7-8-16(19(23)12-15)21(26)25-14-6-9-18(22)17(11-14)20-5-3-4-10-24-20;1-14(2)28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(13-16)20-5-3-4-12-23-20;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-13H,1-2H3,(H,25,26);3-14H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 1653.01 g/mol, XLogP of 18.15, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 158871770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158871770 — identifiers, structure, computed properties (public domain)
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