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

C90H99Cl3F4N18O13S8 — CID 158086402

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

4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158086402) has the molecular formula C90H99Cl3F4N18O13S8 and a molecular weight of 2079.78 g/mol. Its IUPAC name is 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158086402
• Molecular Formula: C90H99Cl3F4N18O13S8
• Molecular Weight: 2079.78 g/mol
• Exact Mass: 2076.44
• IUPAC Name: 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-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=C1C(CN2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cc(F)cc(F)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN4O4S2.C23H23F2N5O3S2.C22H20ClFN4O3S2.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;24-16-13-17(25)15-19(14-16)28-8-10-29(11-9-28)21-5-7-30(22(21)31)18-1-3-20(4-2-18)35(32,33)27-23-26-6-12-34-23;23-20-17-8-10-27(19(17)6-5-18(20)24)13-14-7-11-28(21(14)29)15-1-3-16(4-2-15)33(30,31)26-22-25-9-12-32-22;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);1-4,6,12-15,21H,5,7-11H2,(H,26,27);1-6,9,12,14H,7-8,10-11,13H2,(H,25,26);2-7,18H,8-11H2,1H3,(H,24,25,26);6*1H/t21-,24?;21-;;18-;;;;;;/m00.0....../s1
• InChIKey: FNOLEWLVBOWWHJ-JFHDHHTDSA-N
• XLogP: 16.34
• TPSA: 355.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.78
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158086402) is 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-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=C1C(CN2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cc(F)cc(F)c3)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-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is FNOLEWLVBOWWHJ-JFHDHHTDSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2.C23H23F2N5O3S2.C22H20ClFN4O3S2.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;24-16-13-17(25)15-19(14-16)28-8-10-29(11-9-28)21-5-7-30(22(21)31)18-1-3-20(4-2-18)35(32,33)27-23-26-6-12-34-23;23-20-17-8-10-27(19(17)6-5-18(20)24)13-14-7-11-28(21(14)29)15-1-3-16(4-2-15)33(30,31)26-22-25-9-12-32-22;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);1-4,6,12-15,21H,5,7-11H2,(H,26,27);1-6,9,12,14H,7-8,10-11,13H2,(H,25,26);2-7,18H,8-11H2,1H3,(H,24,25,26);6*1H/t21-,24?;21-;;18-;;;;;;/m00.0....../s1.

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

4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2079.78 g/mol, XLogP of 16.34, 23 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)methyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(3,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158086402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).