4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C72H84ClFN14O10S6 — CID 159683501

About 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159683501) has the molecular formula C72H84ClFN14O10S6 and a molecular weight of 1552.40 g/mol. Its IUPAC name is 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 159683501
• Molecular Formula: C72H84ClFN14O10S6
• Molecular Weight: 1552.40 g/mol
• Exact Mass: 1550.45
• IUPAC Name: 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: COc1cccc(CN2CCN([C@H]3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C3=O)CC2)c1.C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCCc3cccc(Cl)c32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H28FN5O3S2.C25H29N5O4S2.C22H21ClN4O3S2.3H2/c1-18(19-2-4-20(26)5-3-19)29-13-15-30(16-14-29)23-10-12-31(24(23)32)21-6-8-22(9-7-21)36(33,34)28-25-27-11-17-35-25;1-34-21-4-2-3-19(17-21)18-28-12-14-29(15-13-28)23-9-11-30(24(23)31)20-5-7-22(8-6-20)36(32,33)27-25-26-10-16-35-25;23-18-5-1-3-15-4-2-12-27(20(15)18)19-10-13-26(21(19)28)16-6-8-17(9-7-16)32(29,30)25-22-24-11-14-31-22;;;/h2-9,11,17-18,23H,10,12-16H2,1H3,(H,27,28);2-8,10,16-17,23H,9,11-15,18H2,1H3,(H,26,27);1,3,5-9,11,14,19H,2,4,10,12-13H2,(H,24,25);3*1H/t18-,23-;23-;19-;;;/m000.../s1
• InChIKey: MVMMCCXMVRRDCQ-VDYNDUCWSA-N
• XLogP: 11.34
• TPSA: 263.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.40
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159683501) is 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is COc1cccc(CN2CCN([C@H]3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C3=O)CC2)c1.C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCCc3cccc(Cl)c32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is MVMMCCXMVRRDCQ-VDYNDUCWSA-N. The full InChI is InChI=1S/C25H28FN5O3S2.C25H29N5O4S2.C22H21ClN4O3S2.3H2/c1-18(19-2-4-20(26)5-3-19)29-13-15-30(16-14-29)23-10-12-31(24(23)32)21-6-8-22(9-7-21)36(33,34)28-25-27-11-17-35-25;1-34-21-4-2-3-19(17-21)18-28-12-14-29(15-13-28)23-9-11-30(24(23)31)20-5-7-22(8-6-20)36(32,33)27-25-26-10-16-35-25;23-18-5-1-3-15-4-2-12-27(20(15)18)19-10-13-26(21(19)28)16-6-8-17(9-7-16)32(29,30)25-22-24-11-14-31-22;;;/h2-9,11,17-18,23H,10,12-16H2,1H3,(H,27,28);2-8,10,16-17,23H,9,11-15,18H2,1H3,(H,26,27);1,3,5-9,11,14,19H,2,4,10,12-13H2,(H,24,25);3*1H/t18-,23-;23-;19-;;;/m000.../s1.

What are the key properties of 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1552.40 g/mol, XLogP of 11.34, 20 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159683501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).