2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C81H68Cl5N15O11S3 — CID 158892573

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 158892573) has the molecular formula C81H68Cl5N15O11S3 and a molecular weight of 1700.99 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 158892573
• Molecular Formula: C81H68Cl5N15O11S3
• Molecular Weight: 1700.99 g/mol
• Exact Mass: 1697.28
• IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• SMILES: CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c2)CC1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(S(=O)(=O)NCCO)c1
• InChI: InChI=1S/C23H23ClN4O3S.C20H18ClN3O4S.C19H14Cl2N2O3S.C19H13ClN6O/c1-27-11-13-28(14-12-27)32(30,31)19-6-4-5-17(15-19)23(29)26-18-8-9-21(24)20(16-18)22-7-2-3-10-25-22;21-18-8-7-15(13-17(18)19-6-1-2-9-22-19)24-20(26)14-4-3-5-16(12-14)29(27,28)23-10-11-25;1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18;20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26/h2-10,15-16H,11-14H2,1H3,(H,26,29);1-9,12-13,23,25H,10-11H2,(H,24,26);2-11H,1H3,(H,23,24);1-12H,(H,25,27)
• InChIKey: JEKQPIWGJTXDCC-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 352.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.99
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 158892573) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c2)CC1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(S(=O)(=O)NCCO)c1.

What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The InChIKey is JEKQPIWGJTXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S.C20H18ClN3O4S.C19H14Cl2N2O3S.C19H13ClN6O/c1-27-11-13-28(14-12-27)32(30,31)19-6-4-5-17(15-19)23(29)26-18-8-9-21(24)20(16-18)22-7-2-3-10-25-22;21-18-8-7-15(13-17(18)19-6-1-2-9-22-19)24-20(26)14-4-3-5-16(12-14)29(27,28)23-10-11-25;1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18;20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26/h2-10,15-16H,11-14H2,1H3,(H,26,29);1-9,12-13,23,25H,10-11H2,(H,24,26);2-11H,1H3,(H,23,24);1-12H,(H,25,27).

What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 1700.99 g/mol, XLogP of 14.86, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158892573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).