4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C87H89Cl2FN16O12S8 — CID 157059654

About 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157059654) has the molecular formula C87H89Cl2FN16O12S8 and a molecular weight of 1897.21 g/mol. Its IUPAC name is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157059654
• Molecular Formula: C87H89Cl2FN16O12S8
• Molecular Weight: 1897.21 g/mol
• Exact Mass: 1894.40
• IUPAC Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: Cc1cc(S(=O)(=O)Nc2nccs2)ccc1N1CC[C@H](N2CCCc3cc(Cl)ccc32)C1=O.O=C1[C@@H](N2CCCc3ccccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3c2ccc(Cl)c3F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2Cc3ccccc3C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H23ClN4O3S2.C22H22N4O3S2.C21H18ClFN4O3S2.C21H20N4O3S2.3H2/c1-15-13-18(33(30,31)26-23-25-9-12-32-23)5-7-19(15)28-11-8-21(22(28)29)27-10-2-3-16-14-17(24)4-6-20(16)27;27-21-20(26-13-3-5-16-4-1-2-6-19(16)26)11-14-25(21)17-7-9-18(10-8-17)31(28,29)24-22-23-12-15-30-22;22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;26-20-19(24-13-15-3-1-2-4-16(15)14-24)9-11-25(20)17-5-7-18(8-6-17)30(27,28)23-21-22-10-12-29-21;;;/h4-7,9,12-14,21H,2-3,8,10-11H2,1H3,(H,25,26);1-2,4,6-10,12,15,20H,3,5,11,13-14H2,(H,23,24);1-6,9,12,18H,7-8,10-11H2,(H,24,25);1-8,10,12,19H,9,11,13-14H2,(H,22,23);3*1H/t21-;20-;18-;19-;;;/m0000.../s1
• InChIKey: ABEIROYRXQCSQP-NNOLUVKKSA-N
• XLogP: 15.67
• TPSA: 330.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.21
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157059654) is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-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-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is Cc1cc(S(=O)(=O)Nc2nccs2)ccc1N1CC[C@H](N2CCCc3cc(Cl)ccc32)C1=O.O=C1[C@@H](N2CCCc3ccccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3c2ccc(Cl)c3F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2Cc3ccccc3C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is ABEIROYRXQCSQP-NNOLUVKKSA-N. The full InChI is InChI=1S/C23H23ClN4O3S2.C22H22N4O3S2.C21H18ClFN4O3S2.C21H20N4O3S2.3H2/c1-15-13-18(33(30,31)26-23-25-9-12-32-23)5-7-19(15)28-11-8-21(22(28)29)27-10-2-3-16-14-17(24)4-6-20(16)27;27-21-20(26-13-3-5-16-4-1-2-6-19(16)26)11-14-25(21)17-7-9-18(10-8-17)31(28,29)24-22-23-12-15-30-22;22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;26-20-19(24-13-15-3-1-2-4-16(15)14-24)9-11-25(20)17-5-7-18(8-6-17)30(27,28)23-21-22-10-12-29-21;;;/h4-7,9,12-14,21H,2-3,8,10-11H2,1H3,(H,25,26);1-2,4,6-10,12,15,20H,3,5,11,13-14H2,(H,23,24);1-6,9,12,18H,7-8,10-11H2,(H,24,25);1-8,10,12,19H,9,11,13-14H2,(H,22,23);3*1H/t21-;20-;18-;19-;;;/m0000.../s1.

What are the key properties of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1897.21 g/mol, XLogP of 15.67, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-4-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(1,3-dihydroisoindol-2-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157059654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).