N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide

C106H95Cl5N13O16PS4 — CID 162049803

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide (PubChem CID 162049803) has the molecular formula C106H95Cl5N13O16PS4 and a molecular weight of 2143.51 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide
• PubChem CID: 162049803
• Molecular Formula: C106H95Cl5N13O16PS4
• Molecular Weight: 2143.51 g/mol
• Exact Mass: 2139.41
• IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide
• SMILES: CC(c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)S(C)(=O)=O.CCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cn1cnnc1S(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C22H18ClN5O3S.C22H22ClN2O3P.C21H19ClN2O4S.C21H19ClN2O3S.C20H17ClN2O3S/c1-28-14-25-27-22(28)32(30,31)13-15-5-7-16(8-6-15)21(29)26-17-9-10-19(23)18(12-17)20-4-2-3-11-24-20;1-3-28-29(2,27)15-16-7-9-17(10-8-16)22(26)25-18-11-12-20(23)19(14-18)21-6-4-5-13-24-21;1-28-20-11-14(13-29(2,26)27)6-8-16(20)21(25)24-15-7-9-18(22)17(12-15)19-5-3-4-10-23-19;1-14(28(2,26)27)15-6-8-16(9-7-15)21(25)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-27(25,26)13-14-5-4-6-15(11-14)20(24)23-16-8-9-18(21)17(12-16)19-7-2-3-10-22-19/h2-12,14H,13H2,1H3,(H,26,29);4-14H,3,15H2,1-2H3,(H,25,26);3-12H,13H2,1-2H3,(H,24,25);3-14H,1-2H3,(H,24,25);2-12H,13H2,1H3,(H,23,24)
• InChIKey: YYJYINLYWOXFMH-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 412.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.51
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide?

The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide (CID 162049803) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide.

What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide?

The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide is CC(c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)S(C)(=O)=O.CCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cn1cnnc1S(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.

What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide?

The InChIKey is YYJYINLYWOXFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3S.C22H22ClN2O3P.C21H19ClN2O4S.C21H19ClN2O3S.C20H17ClN2O3S/c1-28-14-25-27-22(28)32(30,31)13-15-5-7-16(8-6-15)21(29)26-17-9-10-19(23)18(12-17)20-4-2-3-11-24-20;1-3-28-29(2,27)15-16-7-9-17(10-8-16)22(26)25-18-11-12-20(23)19(14-18)21-6-4-5-13-24-21;1-28-20-11-14(13-29(2,26)27)6-8-16(20)21(25)24-15-7-9-18(22)17(12-15)19-5-3-4-10-23-19;1-14(28(2,26)27)15-6-8-16(9-7-15)21(25)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-27(25,26)13-14-5-4-6-15(11-14)20(24)23-16-8-9-18(21)17(12-16)19-7-2-3-10-22-19/h2-12,14H,13H2,1H3,(H,26,29);4-14H,3,15H2,1-2H3,(H,25,26);3-12H,13H2,1-2H3,(H,24,25);3-14H,1-2H3,(H,24,25);2-12H,13H2,1H3,(H,23,24).

What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide?

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide has a molecular weight of 2143.51 g/mol, XLogP of 23.02, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide is sourced from PubChem (CID 162049803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).