4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C70H77Cl2F4N13O10S6 — CID 160845172

About 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 160845172) has the molecular formula C70H77Cl2F4N13O10S6 and a molecular weight of 1599.77 g/mol. Its IUPAC name is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 160845172
• Molecular Formula: C70H77Cl2F4N13O10S6
• Molecular Weight: 1599.77 g/mol
• Exact Mass: 1597.36
• IUPAC Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1C[C@H](N2CCCc3cc(Cl)ccc32)C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cc(F)ccc3Cl)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25F3N4O3S2.C23H23ClFN5O3S2.C22H19ClN4O4S2.5H2/c26-25(27,28)19-3-1-17(2-4-19)18-9-13-31(14-10-18)22-11-15-32(23(22)33)20-5-7-21(8-6-20)37(34,35)30-24-29-12-16-36-24;24-19-6-1-16(25)15-21(19)29-12-10-28(11-13-29)20-7-9-30(22(20)31)17-2-4-18(5-3-17)35(32,33)27-23-26-8-14-34-23;23-15-3-8-18-14(12-15)2-1-10-26(18)19-13-20(28)27(21(19)29)16-4-6-17(7-5-16)33(30,31)25-22-24-9-11-32-22;;;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,29,30);1-6,8,14-15,20H,7,9-13H2,(H,26,27);3-9,11-12,19H,1-2,10,13H2,(H,24,25);5*1H/t22-;20-;19-;;;;;/m000...../s1
• InChIKey: SINYCHQHNUVPKW-INRDCCPCSA-N
• XLogP: 13.52
• TPSA: 268.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.77
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 160845172) is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C[C@H](N2CCCc3cc(Cl)ccc32)C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cc(F)ccc3Cl)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is SINYCHQHNUVPKW-INRDCCPCSA-N. The full InChI is InChI=1S/C25H25F3N4O3S2.C23H23ClFN5O3S2.C22H19ClN4O4S2.5H2/c26-25(27,28)19-3-1-17(2-4-19)18-9-13-31(14-10-18)22-11-15-32(23(22)33)20-5-7-21(8-6-20)37(34,35)30-24-29-12-16-36-24;24-19-6-1-16(25)15-21(19)29-12-10-28(11-13-29)20-7-9-30(22(20)31)17-2-4-18(5-3-17)35(32,33)27-23-26-8-14-34-23;23-15-3-8-18-14(12-15)2-1-10-26(18)19-13-20(28)27(21(19)29)16-4-6-17(7-5-16)33(30,31)25-22-24-9-11-32-22;;;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,29,30);1-6,8,14-15,20H,7,9-13H2,(H,26,27);3-9,11-12,19H,1-2,10,13H2,(H,24,25);5*1H/t22-;20-;19-;;;;;/m000...../s1.

What are the key properties of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1599.77 g/mol, XLogP of 13.52, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 160845172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).