2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide

C85H74Cl4N16O9S — CID 158633197

About 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide

2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 158633197) has the molecular formula C85H74Cl4N16O9S and a molecular weight of 1637.51 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158633197
• Molecular Formula: C85H74Cl4N16O9S
• Molecular Weight: 1637.51 g/mol
• Exact Mass: 1634.43
• IUPAC Name: 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(N)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCNCC2=O)cc1.O=C1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1
• InChI: InChI=1S/C23H21ClN4O2.C22H19ClN4O2.C21H18ClN5O2.C19H16ClN3O3S/c1-27-12-13-28(22(29)15-27)18-8-5-16(6-9-18)23(30)26-17-7-10-20(24)19(14-17)21-4-2-3-11-25-21;23-19-9-6-16(13-18(19)20-3-1-2-10-25-20)26-22(29)15-4-7-17(8-5-15)27-12-11-24-14-21(27)28;22-17-6-5-15(11-16(17)18-3-1-2-8-23-18)26-21(29)14-4-7-19(25-12-14)27-10-9-24-20(28)13-27;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/h2-11,14H,12-13,15H2,1H3,(H,26,30);1-10,13,24H,11-12,14H2,(H,26,29);1-8,11-12H,9-10,13H2,(H,24,28)(H,26,29);2-11H,21H2,1H3,(H,23,24)
• InChIKey: HZLGFEXAXPPYRE-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 329.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1637.51
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide (CID 158633197) is 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(N)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCNCC2=O)cc1.O=C1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.

What is the InChIKey of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide?

The InChIKey is HZLGFEXAXPPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C22H19ClN4O2.C21H18ClN5O2.C19H16ClN3O3S/c1-27-12-13-28(22(29)15-27)18-8-5-16(6-9-18)23(30)26-17-7-10-20(24)19(14-17)21-4-2-3-11-25-21;23-19-9-6-16(13-18(19)20-3-1-2-10-25-20)26-22(29)15-4-7-17(8-5-15)27-12-11-24-14-21(27)28;22-17-6-5-15(11-16(17)18-3-1-2-8-23-18)26-21(29)14-4-7-19(25-12-14)27-10-9-24-20(28)13-27;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/h2-11,14H,12-13,15H2,1H3,(H,26,30);1-10,13,24H,11-12,14H2,(H,26,29);1-8,11-12H,9-10,13H2,(H,24,28)(H,26,29);2-11H,21H2,1H3,(H,23,24).

What are the key properties of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide?

2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 1637.51 g/mol, XLogP of 14.15, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-oxopiperazin-1-yl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).