4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C65H72Cl2FN13O9S6 — CID 158508347

About 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158508347) has the molecular formula C65H72Cl2FN13O9S6 and a molecular weight of 1461.68 g/mol. Its IUPAC name is 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158508347
• Molecular Formula: C65H72Cl2FN13O9S6
• Molecular Weight: 1461.68 g/mol
• Exact Mass: 1459.33
• IUPAC Name: 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: O=C1[C@@H](N2CCN(c3ccc(Cl)cc3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3ccc(Cl)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CCc3ccccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H23ClFN5O3S2.C21H19ClN4O3S2.C21H20N4O3S2.5H2/c24-16-1-6-20(19(25)15-16)28-10-12-29(13-11-28)21-7-9-30(22(21)31)17-2-4-18(5-3-17)35(32,33)27-23-26-8-14-34-23;22-15-2-1-14-7-10-26(19(14)13-15)18-8-11-25(20(18)27)16-3-5-17(6-4-16)31(28,29)24-21-23-9-12-30-21;26-20-19(25-12-9-15-3-1-2-4-18(15)25)10-13-24(20)16-5-7-17(8-6-16)30(27,28)23-21-22-11-14-29-21;;;;;/h1-6,8,14-15,21H,7,9-13H2,(H,26,27);1-6,9,12-13,18H,7-8,10-11H2,(H,23,24);1-8,11,14,19H,9-10,12-13H2,(H,22,23);5*1H/t21-;18-;19-;;;;;/m001...../s1
• InChIKey: HKSWBEMFOPPTFF-ZTHYUIRSSA-N
• XLogP: 11.77
• TPSA: 251.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.68
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158508347) is 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1[C@@H](N2CCN(c3ccc(Cl)cc3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3ccc(Cl)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CCc3ccccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is HKSWBEMFOPPTFF-ZTHYUIRSSA-N. The full InChI is InChI=1S/C23H23ClFN5O3S2.C21H19ClN4O3S2.C21H20N4O3S2.5H2/c24-16-1-6-20(19(25)15-16)28-10-12-29(13-11-28)21-7-9-30(22(21)31)17-2-4-18(5-3-17)35(32,33)27-23-26-8-14-34-23;22-15-2-1-14-7-10-26(19(14)13-15)18-8-11-25(20(18)27)16-3-5-17(6-4-16)31(28,29)24-21-23-9-12-30-21;26-20-19(25-12-9-15-3-1-2-4-18(15)25)10-13-24(20)16-5-7-17(8-6-16)30(27,28)23-21-22-11-14-29-21;;;;;/h1-6,8,14-15,21H,7,9-13H2,(H,26,27);1-6,9,12-13,18H,7-8,10-11H2,(H,23,24);1-8,11,14,19H,9-10,12-13H2,(H,22,23);5*1H/t21-;18-;19-;;;;;/m001...../s1.

What are the key properties of 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1461.68 g/mol, XLogP of 11.77, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158508347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).