4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C68H89ClFN13O11S6 — CID 161021897

About 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161021897) has the molecular formula C68H89ClFN13O11S6 and a molecular weight of 1511.39 g/mol. Its IUPAC name is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-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-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 161021897
• Molecular Formula: C68H89ClFN13O11S6
• Molecular Weight: 1511.39 g/mol
• Exact Mass: 1509.48
• IUPAC Name: 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C)(C)CC(=O)C(=O)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.Cc1cccc2c1N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2.Cc1csc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H31N5O5S2.C22H20ClFN4O3S2.C22H22N4O3S2.8H2/c1-24(2,3)16-20(30)22(32)28-13-11-27(12-14-28)19-8-10-29(21(19)31)17-4-6-18(7-5-17)36(33,34)26-23-25-9-15-35-23;1-13-12-32-22(25-13)26-33(30,31)15-4-2-14(3-5-15)27-11-9-19(21(27)29)28-10-8-16-18(28)7-6-17(24)20(16)23;1-15-3-2-4-16-9-12-26(20(15)16)19-10-13-25(21(19)27)17-5-7-18(8-6-17)31(28,29)24-22-23-11-14-30-22;;;;;;;;/h4-7,9,15,19H,8,10-14,16H2,1-3H3,(H,25,26);2-7,12,19H,8-11H2,1H3,(H,25,26);2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24);8*1H/t3*19-;;;;;;;;/m000......../s1
• InChIKey: TYMHNEYOHABRMV-PKNVNVPYSA-N
• XLogP: 11.80
• TPSA: 285.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.39
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-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-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161021897) is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-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-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-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-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C)(C)CC(=O)C(=O)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.Cc1cccc2c1N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2.Cc1csc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is TYMHNEYOHABRMV-PKNVNVPYSA-N. The full InChI is InChI=1S/C24H31N5O5S2.C22H20ClFN4O3S2.C22H22N4O3S2.8H2/c1-24(2,3)16-20(30)22(32)28-13-11-27(12-14-28)19-8-10-29(21(19)31)17-4-6-18(7-5-17)36(33,34)26-23-25-9-15-35-23;1-13-12-32-22(25-13)26-33(30,31)15-4-2-14(3-5-15)27-11-9-19(21(27)29)28-10-8-16-18(28)7-6-17(24)20(16)23;1-15-3-2-4-16-9-12-26(20(15)16)19-10-13-25(21(19)27)17-5-7-18(8-6-17)31(28,29)24-22-23-11-14-30-22;;;;;;;;/h4-7,9,15,19H,8,10-14,16H2,1-3H3,(H,25,26);2-7,12,19H,8-11H2,1H3,(H,25,26);2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24);8*1H/t3*19-;;;;;;;;/m000......../s1.

What are the key properties of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1511.39 g/mol, XLogP of 11.80, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4,4-dimethyl-2-oxopentanoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161021897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).