4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C93H111F3N18O13S7 — CID 161202050

About 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 161202050) has the molecular formula C93H111F3N18O13S7 and a molecular weight of 1970.49 g/mol. Its IUPAC name is 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 161202050
• Molecular Formula: C93H111F3N18O13S7
• Molecular Weight: 1970.49 g/mol
• Exact Mass: 1968.66
• IUPAC Name: 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CC(C)c1cccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.C[C@@H](c1ccc(F)c(F)c1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.Cc1cc2ccccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Nc1cccc(F)c1)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28N6O3S.C25H27F2N5O3S2.C22H23N3O4S2.C20H19FN4O3S2.7H2/c1-19-17-21-5-3-4-6-24(21)32(19)20(2)26(33)31-15-13-30(14-16-31)22-7-9-23(10-8-22)36(34,35)29-25-11-12-27-18-28-25;1-17(18-2-7-21(26)22(27)16-18)30-11-13-31(14-12-30)23-8-10-32(24(23)33)19-3-5-20(6-4-19)37(34,35)29-25-28-9-15-36-25;1-15(2)16-4-3-5-18(14-16)29-20-10-12-25(21(20)26)17-6-8-19(9-7-17)31(27,28)24-22-23-11-13-30-22;21-15-2-1-3-16(12-15)23-19(26)14-8-10-25(13-14)17-4-6-18(7-5-17)30(27,28)24-20-22-9-11-29-20;;;;;;;/h3-12,17-18,20H,13-16H2,1-2H3,(H,27,28,29);2-7,9,15-17,23H,8,10-14H2,1H3,(H,28,29);3-9,11,13-15,20H,10,12H2,1-2H3,(H,23,24);1-7,9,11-12,14H,8,10,13H2,(H,22,24)(H,23,26);7*1H/t;17-,23-;;;;;;;;;/m.0........./s1
• InChIKey: UVCLLAXZVADIDJ-OUVQJKNRSA-N
• XLogP: 16.68
• TPSA: 366.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.49
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 161202050) is 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)c1cccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.C[C@@H](c1ccc(F)c(F)c1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.Cc1cc2ccccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Nc1cccc(F)c1)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is UVCLLAXZVADIDJ-OUVQJKNRSA-N. The full InChI is InChI=1S/C26H28N6O3S.C25H27F2N5O3S2.C22H23N3O4S2.C20H19FN4O3S2.7H2/c1-19-17-21-5-3-4-6-24(21)32(19)20(2)26(33)31-15-13-30(14-16-31)22-7-9-23(10-8-22)36(34,35)29-25-11-12-27-18-28-25;1-17(18-2-7-21(26)22(27)16-18)30-11-13-31(14-12-30)23-8-10-32(24(23)33)19-3-5-20(6-4-19)37(34,35)29-25-28-9-15-36-25;1-15(2)16-4-3-5-18(14-16)29-20-10-12-25(21(20)26)17-6-8-19(9-7-17)31(27,28)24-22-23-11-13-30-22;21-15-2-1-3-16(12-15)23-19(26)14-8-10-25(13-14)17-4-6-18(7-5-17)30(27,28)24-20-22-9-11-29-20;;;;;;;/h3-12,17-18,20H,13-16H2,1-2H3,(H,27,28,29);2-7,9,15-17,23H,8,10-14H2,1H3,(H,28,29);3-9,11,13-15,20H,10,12H2,1-2H3,(H,23,24);1-7,9,11-12,14H,8,10,13H2,(H,22,24)(H,23,26);7*1H/t;17-,23-;;;;;;;;;/m.0........./s1.

What are the key properties of 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1970.49 g/mol, XLogP of 16.68, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 161202050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).