2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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

C81H68Cl5N15O10S3 — CID 158709722

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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 158709722) has the molecular formula C81H68Cl5N15O10S3 and a molecular weight of 1685.00 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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: 158709722
• Molecular Formula: C81H68Cl5N15O10S3
• Molecular Weight: 1685.00 g/mol
• Exact Mass: 1681.29
• IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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: CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.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
• InChI: InChI=1S/C23H23ClN4O3S.C20H18ClN3O3S.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;1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;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);3-13H,1-2H3,(H,23,25);2-11H,1H3,(H,23,24);1-12H,(H,25,27)
• InChIKey: IIOKBMANDVZSEA-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 323.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1685.00
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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 158709722) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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 CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.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.

What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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 IIOKBMANDVZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S.C20H18ClN3O3S.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;1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;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);3-13H,1-2H3,(H,23,25);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)-4-(dimethylsulfamoyl)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)-4-(dimethylsulfamoyl)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 1685.00 g/mol, XLogP of 15.84, 18 rotatable bonds, 4 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-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)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 158709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).