N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

C84H71Cl4F6N10O12PS — CID 159010955

About N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (PubChem CID 159010955) has the molecular formula C84H71Cl4F6N10O12PS and a molecular weight of 1731.39 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
• PubChem CID: 159010955
• Molecular Formula: C84H71Cl4F6N10O12PS
• Molecular Weight: 1731.39 g/mol
• Exact Mass: 1728.34
• IUPAC Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
• SMILES: CCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)cn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)cn2)c1
• InChI: InChI=1S/C22H22ClN2O3P.C21H15ClF3N3O3.C21H19ClN2O4S.C20H15ClF3N3O2/c1-3-28-29(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;1-11-14(5-8-18(27-11)21(23,24)25)19(29)28-13-4-6-16(22)15(9-13)17-7-3-12(10-26-17)20(30)31-2;1-29(27,28)13-14-2-5-16(6-3-14)21(26)24-17-7-8-19(22)18(10-17)20-9-4-15(12-25)11-23-20;1-11-14(4-7-18(26-11)20(22,23)24)19(29)27-13-3-5-16(21)15(8-13)17-6-2-12(10-28)9-25-17/h4-14H,3,15H2,1-2H3,(H,25,26);3-10H,1-2H3,(H,28,29);2-11,25H,12-13H2,1H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29)
• InChIKey: JSMBJXRISQZYFX-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 320.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.39
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (CID 159010955) is N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

What is the SMILES notation for N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The canonical SMILES for N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is CCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)cn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)cn2)c1.

What is the InChIKey of N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

The InChIKey is JSMBJXRISQZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN2O3P.C21H15ClF3N3O3.C21H19ClN2O4S.C20H15ClF3N3O2/c1-3-28-29(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;1-11-14(5-8-18(27-11)21(23,24)25)19(29)28-13-4-6-16(22)15(9-13)17-7-3-12(10-26-17)20(30)31-2;1-29(27,28)13-14-2-5-16(6-3-14)21(26)24-17-7-8-19(22)18(10-17)20-9-4-15(12-25)11-23-20;1-11-14(4-7-18(26-11)20(22,23)24)19(29)27-13-3-5-16(21)15(8-13)17-6-2-12(10-28)9-25-17/h4-14H,3,15H2,1-2H3,(H,25,26);3-10H,1-2H3,(H,28,29);2-11,25H,12-13H2,1H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29).

What are the key properties of N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?

N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate has a molecular weight of 1731.39 g/mol, XLogP of 19.82, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 159010955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).