4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine

C88H98Cl3F10N20O12S8- — CID 159984487

About 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine (PubChem CID 159984487) has the molecular formula C88H98Cl3F10N20O12S8- and a molecular weight of 2180.75 g/mol. Its IUPAC name is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine
• PubChem CID: 159984487
• Molecular Formula: C88H98Cl3F10N20O12S8-
• Molecular Weight: 2180.75 g/mol
• Exact Mass: 2177.44
• IUPAC Name: 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine
• SMILES: C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCN(c3ccc(S(=O)[O-])cc3)C2=O)CC1.Cc1nnc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)s1.Nc1nccs1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)ns2)cc1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H26FN3O3S.2C21H16ClF4N5O3S2.C21H19ClFN5O3S2.C3H4N2S.9H2/c1-16(17-2-4-18(23)5-3-17)24-12-14-25(15-13-24)21-10-11-26(22(21)27)19-6-8-20(9-7-19)30(28)29;22-17-13-7-9-31(15(13)6-5-14(17)23)16-8-10-30(18(16)32)11-1-3-12(4-2-11)36(33,34)29-20-28-27-19(35-20)21(24,25)26;22-17-13-7-9-31(15(13)6-5-14(17)23)16-8-10-30(18(16)32)11-1-3-12(4-2-11)36(33,34)29-20-27-19(28-35-20)21(24,25)26;1-12-24-25-21(32-12)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;4-3-5-1-2-6-3;;;;;;;;;/h2-9,16,21H,10-15H2,1H3,(H,28,29);1-6,16H,7-10H2,(H,28,29);1-6,16H,7-10H2,(H,27,28,29);2-7,18H,8-11H2,1H3,(H,25,26);1-2H,(H2,4,5);9*1H/p-1/t16-,21-;2*16-;18-;;;;;;;;;;/m0000........../s1
• InChIKey: HRECJMQJDYSAMJ-NEGXVUEBSA-M
• XLogP: 17.73
• TPSA: 392.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2180.75
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', '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-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The IUPAC name of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine (CID 159984487) is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine.

What is the SMILES notation for 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The canonical SMILES for 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine is C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCN(c3ccc(S(=O)[O-])cc3)C2=O)CC1.Cc1nnc(NS(=O)(=O)c2ccc(N3CC[C@H](N4CCc5c4ccc(F)c5Cl)C3=O)cc2)s1.Nc1nccs1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)ns2)cc1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1.[H][H].[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-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The InChIKey is HRECJMQJDYSAMJ-NEGXVUEBSA-M. The full InChI is InChI=1S/C22H26FN3O3S.2C21H16ClF4N5O3S2.C21H19ClFN5O3S2.C3H4N2S.9H2/c1-16(17-2-4-18(23)5-3-17)24-12-14-25(15-13-24)21-10-11-26(22(21)27)19-6-8-20(9-7-19)30(28)29;22-17-13-7-9-31(15(13)6-5-14(17)23)16-8-10-30(18(16)32)11-1-3-12(4-2-11)36(33,34)29-20-28-27-19(35-20)21(24,25)26;22-17-13-7-9-31(15(13)6-5-14(17)23)16-8-10-30(18(16)32)11-1-3-12(4-2-11)36(33,34)29-20-27-19(28-35-20)21(24,25)26;1-12-24-25-21(32-12)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;4-3-5-1-2-6-3;;;;;;;;;/h2-9,16,21H,10-15H2,1H3,(H,28,29);1-6,16H,7-10H2,(H,28,29);1-6,16H,7-10H2,(H,27,28,29);2-7,18H,8-11H2,1H3,(H,25,26);1-2H,(H2,4,5);9*1H/p-1/t16-,21-;2*16-;18-;;;;;;;;;;/m0000........../s1.

What are the key properties of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine has a molecular weight of 2180.75 g/mol, XLogP of 17.73, 20 rotatable bonds, 4 hydrogen bond donors, and 29 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-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine is sourced from PubChem (CID 159984487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).