N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide

C103H73F8N25O9S6 — CID 163978048

About N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide (PubChem CID 163978048) has the molecular formula C103H73F8N25O9S6 and a molecular weight of 2149.27 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide
• PubChem CID: 163978048
• Molecular Formula: C103H73F8N25O9S6
• Molecular Weight: 2149.27 g/mol
• Exact Mass: 2147.42
• IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide
• SMILES: Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc(-c3ccccc3)n2O)n1.Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4[nH]ncc4c3)c2F)n1.Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4c(c3)CNC4)c2F)n1
• InChI: InChI=1S/C27H21FN6O2S2.C26H18FN7O2S2.C25H17F3N6O3S.C25H17F3N6O2S/c28-23-20(7-4-8-21(23)34-38(35,36)19-10-9-17-14-30-15-18(17)13-19)24-25(22-11-12-31-27(29)32-22)37-26(33-24)16-5-2-1-3-6-16;27-22-18(7-4-8-20(22)34-38(35,36)17-9-10-19-16(13-17)14-30-33-19)23-24(21-11-12-29-26(28)31-21)37-25(32-23)15-5-2-1-3-6-15;26-16-9-5-10-17(27)23(16)38(36,37)33-18-11-4-8-15(20(18)28)21-22(19-12-13-30-25(29)31-19)34(35)24(32-21)14-6-2-1-3-7-14;26-16-9-5-10-17(27)23(16)37(35,36)34-18-11-4-8-15(20(18)28)21-22(19-12-13-30-25(29)31-19)33-24(32-21)14-6-2-1-3-7-14/h1-13,30,34H,14-15H2,(H2,29,31,32);1-14,34H,(H,30,33)(H2,28,29,31);1-13,33,35H,(H2,29,30,31);1-13,34H,(H,32,33)(H2,29,30,31)
• InChIKey: SVWRKJZJUHGLHR-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 525.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.27
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide?

The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide (CID 163978048) is N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide.

What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide?

The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide is Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc(-c3ccccc3)n2O)n1.Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4[nH]ncc4c3)c2F)n1.Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4c(c3)CNC4)c2F)n1.

What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide?

The InChIKey is SVWRKJZJUHGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O2S2.C26H18FN7O2S2.C25H17F3N6O3S.C25H17F3N6O2S/c28-23-20(7-4-8-21(23)34-38(35,36)19-10-9-17-14-30-15-18(17)13-19)24-25(22-11-12-31-27(29)32-22)37-26(33-24)16-5-2-1-3-6-16;27-22-18(7-4-8-20(22)34-38(35,36)17-9-10-19-16(13-17)14-30-33-19)23-24(21-11-12-29-26(28)31-21)37-25(32-23)15-5-2-1-3-6-15;26-16-9-5-10-17(27)23(16)38(36,37)33-18-11-4-8-15(20(18)28)21-22(19-12-13-30-25(29)31-19)34(35)24(32-21)14-6-2-1-3-7-14;26-16-9-5-10-17(27)23(16)37(35,36)34-18-11-4-8-15(20(18)28)21-22(19-12-13-30-25(29)31-19)33-24(32-21)14-6-2-1-3-7-14/h1-13,30,34H,14-15H2,(H2,29,31,32);1-14,34H,(H,30,33)(H2,28,29,31);1-13,33,35H,(H2,29,30,31);1-13,34H,(H,32,33)(H2,29,30,31).

What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide?

N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide has a molecular weight of 2149.27 g/mol, XLogP of 20.10, 24 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-aminopyrimidin-4-yl)-1-hydroxy-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,3-dihydro-1H-isoindole-5-sulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-1H-indazole-5-sulfonamide is sourced from PubChem (CID 163978048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).