4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C69H69Cl2FN12O9S6 — CID 157496354

About 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 157496354) has the molecular formula C69H69Cl2FN12O9S6 and a molecular weight of 1492.69 g/mol. Its IUPAC name is 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 157496354
• Molecular Formula: C69H69Cl2FN12O9S6
• Molecular Weight: 1492.69 g/mol
• Exact Mass: 1490.30
• IUPAC Name: 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1[C@@H](N2CCC(c3ccc(F)cc3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCC(c3ccccc3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C23H22Cl2N4O3S2.C23H23FN4O3S2.C23H24N4O3S2/c24-17-11-16(12-18(25)13-17)15-5-8-28(14-15)21-6-9-29(22(21)30)19-1-3-20(4-2-19)34(31,32)27-23-26-7-10-33-23;24-18-3-1-16(2-4-18)17-9-12-27(15-17)21-10-13-28(22(21)29)19-5-7-20(8-6-19)33(30,31)26-23-25-11-14-32-23;28-22-21(26-13-10-18(16-26)17-4-2-1-3-5-17)11-14-27(22)19-6-8-20(9-7-19)32(29,30)25-23-24-12-15-31-23/h1-4,7,10-13,15,21H,5-6,8-9,14H2,(H,26,27);1-8,11,14,17,21H,9-10,12-13,15H2,(H,25,26);1-9,12,15,18,21H,10-11,13-14,16H2,(H,24,25)/t15-,21+;17?,21-;18?,21-/m000/s1
• InChIKey: BXWLUNAIUGTDMF-KCJLKRQMSA-N
• XLogP: 12.06
• TPSA: 247.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.69
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 157496354) is 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@@H](N2CCC(c3ccc(F)cc3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCC(c3ccccc3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.

What is the InChIKey of 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is BXWLUNAIUGTDMF-KCJLKRQMSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3S2.C23H23FN4O3S2.C23H24N4O3S2/c24-17-11-16(12-18(25)13-17)15-5-8-28(14-15)21-6-9-29(22(21)30)19-1-3-20(4-2-19)34(31,32)27-23-26-7-10-33-23;24-18-3-1-16(2-4-18)17-9-12-27(15-17)21-10-13-28(22(21)29)19-5-7-20(8-6-19)33(30,31)26-23-25-11-14-32-23;28-22-21(26-13-10-18(16-26)17-4-2-1-3-5-17)11-14-27(22)19-6-8-20(9-7-19)32(29,30)25-23-24-12-15-31-23/h1-4,7,10-13,15,21H,5-6,8-9,14H2,(H,26,27);1-8,11,14,17,21H,9-10,12-13,15H2,(H,25,26);1-9,12,15,18,21H,10-11,13-14,16H2,(H,24,25)/t15-,21+;17?,21-;18?,21-/m000/s1.

What are the key properties of 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1492.69 g/mol, XLogP of 12.06, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-2-oxo-3-(3-phenylpyrrolidin-1-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 157496354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).