2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

C87H82Cl4IN15O9S2 — CID 159805698

About 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 159805698) has the molecular formula C87H82Cl4IN15O9S2 and a molecular weight of 1814.56 g/mol. Its IUPAC name is 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 159805698
• Molecular Formula: C87H82Cl4IN15O9S2
• Molecular Weight: 1814.56 g/mol
• Exact Mass: 1811.37
• IUPAC Name: 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
• SMILES: CC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(I)c1.Cc1nc(N2CCN[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
• InChI: InChI=1S/C24H26ClN5O.C23H24ClN5O.C21H18ClN3O4S.C19H14ClIN2O3S/c1-15-13-30(14-16(2)27-15)23-10-8-19(17(3)28-23)24(31)29-18-7-9-21(25)20(12-18)22-6-4-5-11-26-22;1-15-14-29(12-11-25-15)22-9-7-18(16(2)27-22)23(30)28-17-6-8-20(24)19(13-17)21-5-3-4-10-26-21;1-13(26)24-20-12-15(30(2,28)29)7-8-16(20)21(27)25-14-6-9-18(22)17(11-14)19-5-3-4-10-23-19;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/h4-12,15-16,27H,13-14H2,1-3H3,(H,29,31);3-10,13,15,25H,11-12,14H2,1-2H3,(H,28,30);3-12H,1-2H3,(H,24,26)(H,25,27);2-11H,1H3,(H,23,24)/t15-,16+;15-;;/m.0../s1
• InChIKey: NKJAFRMAIUCXOM-OEXRFCTKSA-N
• XLogP: 17.38
• TPSA: 321.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.56
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (CID 159805698) is 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is CC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(I)c1.Cc1nc(N2CCN[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.

What is the InChIKey of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is NKJAFRMAIUCXOM-OEXRFCTKSA-N. The full InChI is InChI=1S/C24H26ClN5O.C23H24ClN5O.C21H18ClN3O4S.C19H14ClIN2O3S/c1-15-13-30(14-16(2)27-15)23-10-8-19(17(3)28-23)24(31)29-18-7-9-21(25)20(12-18)22-6-4-5-11-26-22;1-15-14-29(12-11-25-15)22-9-7-18(16(2)27-22)23(30)28-17-6-8-20(24)19(13-17)21-5-3-4-10-26-21;1-13(26)24-20-12-15(30(2,28)29)7-8-16(20)21(27)25-14-6-9-18(22)17(11-14)19-5-3-4-10-23-19;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/h4-12,15-16,27H,13-14H2,1-3H3,(H,29,31);3-10,13,15,25H,11-12,14H2,1-2H3,(H,28,30);3-12H,1-2H3,(H,24,26)(H,25,27);2-11H,1H3,(H,23,24)/t15-,16+;15-;;/m.0../s1.

What are the key properties of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 1814.56 g/mol, XLogP of 17.38, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159805698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).