2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

C87H78Cl5N11O13S2 — CID 158208293

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 158208293) has the molecular formula C87H78Cl5N11O13S2 and a molecular weight of 1727.04 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
• PubChem CID: 158208293
• Molecular Formula: C87H78Cl5N11O13S2
• Molecular Weight: 1727.04 g/mol
• Exact Mass: 1723.37
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
• InChI: InChI=1S/C24H25ClN2O4S.C22H19ClN4O3.C21H17Cl2N3O2.C20H17ClN2O4S/c1-16(2)14-31-23-12-17(7-8-18(23)15-32(3,29)30)24(28)27-19-9-10-21(25)20(13-19)22-6-4-5-11-26-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h4-13,16H,14-15H2,1-3H3,(H,27,28);1-8,13-14H,9-12H2,(H,26,28);3-12H,1-2H3,(H,25,27);2-11,24H,12H2,1H3,(H,23,25)
• InChIKey: GBTJDUHMGKKCDX-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 328.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1727.04
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (CID 158208293) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is CC(C)COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The InChIKey is GBTJDUHMGKKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S.C22H19ClN4O3.C21H17Cl2N3O2.C20H17ClN2O4S/c1-16(2)14-31-23-12-17(7-8-18(23)15-32(3,29)30)24(28)27-19-9-10-21(25)20(13-19)22-6-4-5-11-26-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h4-13,16H,14-15H2,1-3H3,(H,27,28);1-8,13-14H,9-12H2,(H,26,28);3-12H,1-2H3,(H,25,27);2-11,24H,12H2,1H3,(H,23,25).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 1727.04 g/mol, XLogP of 17.67, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 158208293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).