dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate

C64H44Br2Cl6Cs2F7N5O15S3 — CID 161106178

About dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate

dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate (PubChem CID 161106178) has the molecular formula C64H44Br2Cl6Cs2F7N5O15S3 and a molecular weight of 1990.60 g/mol. Its IUPAC name is dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate.

Molecular Properties

• Compound Name: dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate
• PubChem CID: 161106178
• Molecular Formula: C64H44Br2Cl6Cs2F7N5O15S3
• Molecular Weight: 1990.60 g/mol
• Exact Mass: 1984.65
• IUPAC Name: dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate
• SMILES: CS(=O)(=O)NC(=O)c1cc(F)c(-c2cnc(F)c(Br)c2)cc1F.Cc1cc(Cl)cc(Cl)c1O.Cc1cc(Cl)cc(Cl)c1Oc1ncc(-c2cc(F)c(C(=O)CS(C)(=O)=O)cc2F)cc1Br.Cc1cc(Cl)cc(Cl)c1Oc1ncc(-c2cc(F)c(C(=O)CS(C)(=O)=O)cc2F)cc1C#N.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C22H14Cl2F2N2O4S.C21H14BrCl2F2NO4S.C13H8BrF3N2O3S.C7H6Cl2O.CH2O3.2Cs.H/c1-11-3-14(23)5-17(24)21(11)32-22-12(8-27)4-13(9-28-22)15-6-19(26)16(7-18(15)25)20(29)10-33(2,30)31;1-10-3-12(23)5-16(24)20(10)31-21-15(22)4-11(8-27-21)13-6-18(26)14(7-17(13)25)19(28)9-32(2,29)30;1-23(21,22)19-13(20)8-4-10(15)7(3-11(8)16)6-2-9(14)12(17)18-5-6;1-4-2-5(8)3-6(9)7(4)10;2-1-4-3;;;/h3-7,9H,10H2,1-2H3;3-8H,9H2,1-2H3;2-5H,1H3,(H,19,20);2-3,10H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: AKJNIDALPCIFRF-UHFFFAOYSA-M
• XLogP: 10.14
• TPSA: 316.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.60
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate?

The IUPAC name of dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate (CID 161106178) is dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate.

What is the SMILES notation for dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate?

The canonical SMILES for dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate is CS(=O)(=O)NC(=O)c1cc(F)c(-c2cnc(F)c(Br)c2)cc1F.Cc1cc(Cl)cc(Cl)c1O.Cc1cc(Cl)cc(Cl)c1Oc1ncc(-c2cc(F)c(C(=O)CS(C)(=O)=O)cc2F)cc1Br.Cc1cc(Cl)cc(Cl)c1Oc1ncc(-c2cc(F)c(C(=O)CS(C)(=O)=O)cc2F)cc1C#N.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate?

The InChIKey is AKJNIDALPCIFRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H14Cl2F2N2O4S.C21H14BrCl2F2NO4S.C13H8BrF3N2O3S.C7H6Cl2O.CH2O3.2Cs.H/c1-11-3-14(23)5-17(24)21(11)32-22-12(8-27)4-13(9-28-22)15-6-19(26)16(7-18(15)25)20(29)10-33(2,30)31;1-10-3-12(23)5-16(24)20(10)31-21-15(22)4-11(8-27-21)13-6-18(26)14(7-17(13)25)19(28)9-32(2,29)30;1-23(21,22)19-13(20)8-4-10(15)7(3-11(8)16)6-2-9(14)12(17)18-5-6;1-4-2-5(8)3-6(9)7(4)10;2-1-4-3;;;/h3-7,9H,10H2,1-2H3;3-8H,9H2,1-2H3;2-5H,1H3,(H,19,20);2-3,10H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate?

dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate has a molecular weight of 1990.60 g/mol, XLogP of 10.14, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;1-[4-[5-bromo-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-2,5-difluorophenyl]-2-methylsulfonylethanone;4-(5-bromo-6-fluoro-3-pyridinyl)-2,5-difluoro-N-methylsulfonylbenzamide;2,4-dichloro-6-methylphenol;2-(2,4-dichloro-6-methylphenoxy)-5-[2,5-difluoro-4-(2-methylsulfonylacetyl)phenyl]pyridine-3-carbonitrile;hydride;oxido formate is sourced from PubChem (CID 161106178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).