3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide

C89H100Cl7F8N21O16S7 — CID 158823165

About 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide

3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 158823165) has the molecular formula C89H100Cl7F8N21O16S7 and a molecular weight of 2344.53 g/mol. Its IUPAC name is 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 158823165
• Molecular Formula: C89H100Cl7F8N21O16S7
• Molecular Weight: 2344.53 g/mol
• Exact Mass: 2339.34
• IUPAC Name: 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3n[nH]c(C(C)(C)O)n3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)c(Cl)c1F.CCN(CC)C(=O)c1nc(-c2nnc(C)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CCN(CC)C(=O)c1nc(-c2nncn2CC(C)(C)O)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl
• InChI: InChI=1S/C23H26Cl2F3N5O3S.C23H26Cl2F2N6O4S2.C23H25ClF3N5O5S2.C20H23Cl2N5O4S2/c1-6-32(7-2)20(34)16-17(37-19(30-16)18-31-29-11-33(18)10-21(3,4)35)12-8-9-13(15(25)14(12)24)22(5,36)23(26,27)28;1-10(2)32-39(36,37)13-7-6-12(14(24)15(13)25)17-16(20(34)33-9-23(26,27)8-11(33)3)28-19(38-17)18-29-21(31-30-18)22(4,5)35;1-10(2)31-39(35,36)13-7-6-12(14(24)15(13)25)17-16(20(33)32-9-23(26,27)8-11(32)3)28-19(38-17)18-29-30-21(37-18)22(4,5)34;1-6-27(7-2)20(28)16-17(32-19(23-16)18-25-24-11(5)31-18)12-8-9-13(15(22)14(12)21)33(29,30)26-10(3)4/h8-9,11,35-36H,6-7,10H2,1-5H3;6-7,10-11,32,35H,8-9H2,1-5H3,(H,29,30,31);6-7,10-11,31,34H,8-9H2,1-5H3;8-10,26H,6-7H2,1-5H3/t;2*11-;/m.00./s1
• InChIKey: IWCWQLSYIDEROT-ZIJVZUMNSA-N
• XLogP: 19.16
• TPSA: 502.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.53
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide (CID 158823165) is 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide is CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3n[nH]c(C(C)(C)O)n3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)c(Cl)c1F.CCN(CC)C(=O)c1nc(-c2nnc(C)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CCN(CC)C(=O)c1nc(-c2nncn2CC(C)(C)O)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl.

What is the InChIKey of 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is IWCWQLSYIDEROT-ZIJVZUMNSA-N. The full InChI is InChI=1S/C23H26Cl2F3N5O3S.C23H26Cl2F2N6O4S2.C23H25ClF3N5O5S2.C20H23Cl2N5O4S2/c1-6-32(7-2)20(34)16-17(37-19(30-16)18-31-29-11-33(18)10-21(3,4)35)12-8-9-13(15(25)14(12)24)22(5,36)23(26,27)28;1-10(2)32-39(36,37)13-7-6-12(14(24)15(13)25)17-16(20(34)33-9-23(26,27)8-11(33)3)28-19(38-17)18-29-21(31-30-18)22(4,5)35;1-10(2)31-39(35,36)13-7-6-12(14(24)15(13)25)17-16(20(33)32-9-23(26,27)8-11(32)3)28-19(38-17)18-29-30-21(37-18)22(4,5)34;1-6-27(7-2)20(28)16-17(32-19(23-16)18-25-24-11(5)31-18)12-8-9-13(15(22)14(12)21)33(29,30)26-10(3)4/h8-9,11,35-36H,6-7,10H2,1-5H3;6-7,10-11,32,35H,8-9H2,1-5H3,(H,29,30,31);6-7,10-11,31,34H,8-9H2,1-5H3;8-10,26H,6-7H2,1-5H3/t;2*11-;/m.00./s1.

What are the key properties of 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?

3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2344.53 g/mol, XLogP of 19.16, 30 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazole-4-carboxamide;5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N,N-diethyl-2-[4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158823165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).