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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide

C93H68Cl8N14O12S2 — CID 158248354

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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 158248354) has the molecular formula C93H68Cl8N14O12S2 and a molecular weight of 1921.41 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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide
• PubChem CID: 158248354
• Molecular Formula: C93H68Cl8N14O12S2
• Molecular Weight: 1921.41 g/mol
• Exact Mass: 1916.21
• 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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide
• SMILES: 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.O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/2C24H16Cl2N4O2.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;25-20-7-5-17(14-19(20)22-3-1-2-10-28-22)30-24(32)18-6-4-15(13-21(18)26)23(31)29-16-8-11-27-12-9-16;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);1-14H,(H,30,32)(H,27,29,31);1-8,13-14H,9-12H2,(H,27,29);1-8,11-12H,9-10,13H2,(H,26,28)
• InChIKey: GGKFGDPEZCPKRQ-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 360.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1921.41
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide (CID 158248354) 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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide is 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.O=C(Nc1ccncc1)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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide?

The InChIKey is GGKFGDPEZCPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16Cl2N4O2.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;25-20-7-5-17(14-19(20)22-3-1-2-10-28-22)30-24(32)18-6-4-15(13-21(18)26)23(31)29-16-8-11-27-12-9-16;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);1-14H,(H,30,32)(H,27,29,31);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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 1921.41 g/mol, XLogP of 20.22, 18 rotatable bonds, 6 hydrogen bond donors, and 18 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-pyridin-3-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 158248354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).