4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C69H81Cl3FN13O10S6 — CID 157345215

About 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157345215) has the molecular formula C69H81Cl3FN13O10S6 and a molecular weight of 1570.25 g/mol. Its IUPAC name is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157345215
• Molecular Formula: C69H81Cl3FN13O10S6
• Molecular Weight: 1570.25 g/mol
• Exact Mass: 1567.36
• IUPAC Name: 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.Cc1nsc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)n1.O=C1[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN4O4S2.C24H25ClN4O3S2.C21H19ClFN5O3S2.6H2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23;25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;1-12-24-21(32-25-12)26-33(30,31)14-4-2-13(3-5-14)27-11-9-18(20(27)29)28-10-8-15-17(28)7-6-16(23)19(15)22;;;;;;/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27);1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);2-7,18H,8-11H2,1H3,(H,24,25,26);6*1H/t21-,24?;22-;18-;;;;;;/m000....../s1
• InChIKey: BGWMXKPBQJRTQC-QWVMBWDXSA-N
• XLogP: 13.62
• TPSA: 269.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.25
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157345215) is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.Cc1nsc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)n1.O=C1[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BGWMXKPBQJRTQC-QWVMBWDXSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2.C24H25ClN4O3S2.C21H19ClFN5O3S2.6H2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23;25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;1-12-24-21(32-25-12)26-33(30,31)14-4-2-13(3-5-14)27-11-9-18(20(27)29)28-10-8-15-17(28)7-6-16(23)19(15)22;;;;;;/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27);1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);2-7,18H,8-11H2,1H3,(H,24,25,26);6*1H/t21-,24?;22-;18-;;;;;;/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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1570.25 g/mol, XLogP of 13.62, 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-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157345215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).