N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

C98H106F4N10O7S2 — CID 167562669

About N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (PubChem CID 167562669) has the molecular formula C98H106F4N10O7S2 and a molecular weight of 1676.11 g/mol. Its IUPAC name is N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
• PubChem CID: 167562669
• Molecular Formula: C98H106F4N10O7S2
• Molecular Weight: 1676.11 g/mol
• Exact Mass: 1674.76
• IUPAC Name: N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
• SMILES: CCCN(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1.CCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2)cc1F.[H]N=S(=O)(CCc1ccc(C)nc1C)c1ccc(-c2ccc(N(C)C(=O)CC)c(F)c2)cc1.[H]N=S(=O)(CCc1ccc(F)nc1F)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1
• InChI: InChI=1S/C25H28FN3O2S.C25H27FN2O.C25H28N2O2.C23H23F2N3O2S/c1-5-25(30)29(4)24-13-10-21(16-23(24)26)20-8-11-22(12-9-20)32(27,31)15-14-19-7-6-17(2)28-18(19)3;1-4-16-28(3)24-13-11-22(17-23(24)26)20-7-9-21(10-8-20)25(29)14-12-19-6-5-15-27-18(19)2;1-4-17-27(2)23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(28)15-5-19-6-16-25(29-3)26-18-19;1-3-22(29)28(2)19-9-4-16(5-10-19)17-6-11-20(12-7-17)31(26,30)15-14-18-8-13-21(24)27-23(18)25/h6-13,16,27H,5,14-15H2,1-4H3;5-11,13,15,17H,4,12,14,16H2,1-3H3;6-14,16,18H,4-5,15,17H2,1-3H3;4-13,26H,3,14-15H2,1-2H3
• InChIKey: DWEKFJQZCZBPLW-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 223.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.11
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?

The IUPAC name of N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (CID 167562669) is N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.

What is the SMILES notation for N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?

The canonical SMILES for N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is CCCN(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1.CCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2)cc1F.[H]N=S(=O)(CCc1ccc(C)nc1C)c1ccc(-c2ccc(N(C)C(=O)CC)c(F)c2)cc1.[H]N=S(=O)(CCc1ccc(F)nc1F)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1.

What is the InChIKey of N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?

The InChIKey is DWEKFJQZCZBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2S.C25H27FN2O.C25H28N2O2.C23H23F2N3O2S/c1-5-25(30)29(4)24-13-10-21(16-23(24)26)20-8-11-22(12-9-20)32(27,31)15-14-19-7-6-17(2)28-18(19)3;1-4-16-28(3)24-13-11-22(17-23(24)26)20-7-9-21(10-8-20)25(29)14-12-19-6-5-15-27-18(19)2;1-4-17-27(2)23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(28)15-5-19-6-16-25(29-3)26-18-19;1-3-22(29)28(2)19-9-4-16(5-10-19)17-6-11-20(12-7-17)31(26,30)15-14-18-8-13-21(24)27-23(18)25/h6-13,16,27H,5,14-15H2,1-4H3;5-11,13,15,17H,4,12,14,16H2,1-3H3;6-14,16,18H,4-5,15,17H2,1-3H3;4-13,26H,3,14-15H2,1-2H3.

What are the key properties of N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?

N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one has a molecular weight of 1676.11 g/mol, XLogP of 21.85, 31 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 167562669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).