2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
C92H69Cl8N15O12S2 — CID 158611051
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
SMILESCn1nccc1NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C24H16Cl2N4O2.C23H17Cl2N5O2.C23H19Cl2N3O4S.C22H17Cl2N3O4S/c25-20-9-7-16(13-19(20)22-5-1-2-11-28-22)29-24(32)18-8-6-15(12-21(18)26)23(31)30-17-4-3-10-27-14-17;1-30-21(9-11-27-30)29-22(31)14-5-7-16(19(25)12-14)23(32)28-15-6-8-18(24)17(13-15)20-4-2-3-10-26-20;24-19-7-5-16(14-18(19)21-3-1-2-8-26-21)27-22(29)17-6-4-15(13-20(17)25)23(30)28-9-11-33(31,32)12-10-28;23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-14H,(H,29,32)(H,30,31);2-13H,1H3,(H,28,32)(H,29,31);1-8,13-14H,9-12H2,(H,27,29);1-8,11-12H,9-10,13H2,(H,26,28)
InChIKeyHWVOTJSEBRCETG-UHFFFAOYSA-N
MW1924.41 g/mol
LogP19.56
Rot. Bonds18
About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (PubChem CID 158611051) has the molecular formula C92H69Cl8N15O12S2 and a molecular weight of 1924.41 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide |
|---|---|
| PubChem CID | 158611051 |
| Molecular Formula | C92H69Cl8N15O12S2 |
| Molecular Weight | 1924.41 g/mol |
| Exact Mass | 1919.22 |
| IUPAC Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide |
| SMILES | Cn1nccc1NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 |
| InChI | InChI=1S/C24H16Cl2N4O2.C23H17Cl2N5O2.C23H19Cl2N3O4S.C22H17Cl2N3O4S/c25-20-9-7-16(13-19(20)22-5-1-2-11-28-22)29-24(32)18-8-6-15(12-21(18)26)23(31)30-17-4-3-10-27-14-17;1-30-21(9-11-27-30)29-22(31)14-5-7-16(19(25)12-14)23(32)28-15-6-8-18(24)17(13-15)20-4-2-3-10-26-20;24-19-7-5-16(14-18(19)21-3-1-2-8-26-21)27-22(29)17-6-4-15(13-20(17)25)23(30)28-9-11-33(31,32)12-10-28;23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-14H,(H,29,32)(H,30,31);2-13H,1H3,(H,28,32)(H,29,31);1-8,13-14H,9-12H2,(H,27,29);1-8,11-12H,9-10,13H2,(H,26,28) |
| InChIKey | HWVOTJSEBRCETG-UHFFFAOYSA-N |
| XLogP | 19.56 |
| TPSA | 365.77 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 129 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1924.41 |
| LogP ≤ 5 | 19.56 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (CID 158611051) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is Cn1nccc1NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The InChIKey is HWVOTJSEBRCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2.C23H17Cl2N5O2.C23H19Cl2N3O4S.C22H17Cl2N3O4S/c25-20-9-7-16(13-19(20)22-5-1-2-11-28-22)29-24(32)18-8-6-15(12-21(18)26)23(31)30-17-4-3-10-27-14-17;1-30-21(9-11-27-30)29-22(31)14-5-7-16(19(25)12-14)23(32)28-15-6-8-18(24)17(13-15)20-4-2-3-10-26-20;24-19-7-5-16(14-18(19)21-3-1-2-8-26-21)27-22(29)17-6-4-15(13-20(17)25)23(30)28-9-11-33(31,32)12-10-28;23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-14H,(H,29,32)(H,30,31);2-13H,1H3,(H,28,32)(H,29,31);1-8,13-14H,9-12H2,(H,27,29);1-8,11-12H,9-10,13H2,(H,26,28).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide has a molecular weight of 1924.41 g/mol, XLogP of 19.56, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylpyrazol-3-yl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 158611051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158611051 — identifiers, structure, computed properties (public domain)
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