4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine

C135H158Cl2F3N26O22S11- — CID 158372000

About 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 158372000) has the molecular formula C135H158Cl2F3N26O22S11- and a molecular weight of 2977.55 g/mol. Its IUPAC name is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
• PubChem CID: 158372000
• Molecular Formula: C135H158Cl2F3N26O22S11-
• Molecular Weight: 2977.55 g/mol
• Exact Mass: 2973.83
• IUPAC Name: 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
• SMILES: COc1ccc(OC)c(CCN[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cccc2ccn(C(C)C(=O)N3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)c12.Nc1nc(C(F)(F)F)cs1.O=C(Cn1ccc2cccnc21)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)[O-])cc1.O=C1[C@@H](N2CCc3c(O)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](Oc2ccccc2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28N6O3S.C23H23N5O3S2.C23H26N4O5S2.C21H20N4O4S2.C19H16ClN3O4S2.C19H19ClN2O3S.C4H3F3N2S.12H2/c1-19-4-3-5-21-11-13-32(25(19)21)20(2)26(33)31-16-14-30(15-17-31)22-6-8-23(9-7-22)36(34,35)29-24-10-12-27-18-28-24;29-21(16-28-14-9-19-2-1-10-24-22(19)28)27-12-7-18(8-13-27)17-3-5-20(6-4-17)33(30,31)26-23-25-11-15-32-23;1-31-18-5-8-21(32-2)16(15-18)9-11-24-20-10-13-27(22(20)28)17-3-6-19(7-4-17)34(29,30)26-23-25-12-14-33-23;26-19-3-1-2-17-16(19)8-11-25(17)18-9-12-24(20(18)27)14-4-6-15(7-5-14)31(28,29)23-21-22-10-13-30-21;20-15-3-1-2-4-16(15)27-17-9-11-23(18(17)24)13-5-7-14(8-6-13)29(25,26)22-19-21-10-12-28-19;20-14-3-8-17-13(12-14)2-1-10-22(17)18-9-11-21(19(18)23)15-4-6-16(7-5-15)26(24)25;5-4(6,7)2-1-10-3(8)9-2;;;;;;;;;;;;/h3-13,18,20H,14-17H2,1-2H3,(H,27,28,29);1-6,9-11,14-15,18H,7-8,12-13,16H2,(H,25,26);3-8,12,14-15,20,24H,9-11,13H2,1-2H3,(H,25,26);1-7,10,13,18,26H,8-9,11-12H2,(H,22,23);1-8,10,12,17H,9,11H2,(H,21,22);3-8,12,18H,1-2,9-11H2,(H,24,25);1H,(H2,8,9);12*1H/p-1/t;;20-;18-;17-;18-;;;;;;;;;;;;;/m..0000............./s1
• InChIKey: LKPITXGUBLAJPF-YNAAMKRLSA-M
• XLogP: 24.48
• TPSA: 601.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2977.55
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', '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-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?

The IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 158372000) is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine is COc1ccc(OC)c(CCN[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.Cc1cccc2ccn(C(C)C(=O)N3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)c12.Nc1nc(C(F)(F)F)cs1.O=C(Cn1ccc2cccnc21)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)[O-])cc1.O=C1[C@@H](N2CCc3c(O)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](Oc2ccccc2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?

The InChIKey is LKPITXGUBLAJPF-YNAAMKRLSA-M. The full InChI is InChI=1S/C26H28N6O3S.C23H23N5O3S2.C23H26N4O5S2.C21H20N4O4S2.C19H16ClN3O4S2.C19H19ClN2O3S.C4H3F3N2S.12H2/c1-19-4-3-5-21-11-13-32(25(19)21)20(2)26(33)31-16-14-30(15-17-31)22-6-8-23(9-7-22)36(34,35)29-24-10-12-27-18-28-24;29-21(16-28-14-9-19-2-1-10-24-22(19)28)27-12-7-18(8-13-27)17-3-5-20(6-4-17)33(30,31)26-23-25-11-15-32-23;1-31-18-5-8-21(32-2)16(15-18)9-11-24-20-10-13-27(22(20)28)17-3-6-19(7-4-17)34(29,30)26-23-25-12-14-33-23;26-19-3-1-2-17-16(19)8-11-25(17)18-9-12-24(20(18)27)14-4-6-15(7-5-14)31(28,29)23-21-22-10-13-30-21;20-15-3-1-2-4-16(15)27-17-9-11-23(18(17)24)13-5-7-14(8-6-13)29(25,26)22-19-21-10-12-28-19;20-14-3-8-17-13(12-14)2-1-10-22(17)18-9-11-21(19(18)23)15-4-6-16(7-5-15)26(24)25;5-4(6,7)2-1-10-3(8)9-2;;;;;;;;;;;;/h3-13,18,20H,14-17H2,1-2H3,(H,27,28,29);1-6,9-11,14-15,18H,7-8,12-13,16H2,(H,25,26);3-8,12,14-15,20,24H,9-11,13H2,1-2H3,(H,25,26);1-7,10,13,18,26H,8-9,11-12H2,(H,22,23);1-8,10,12,17H,9,11H2,(H,21,22);3-8,12,18H,1-2,9-11H2,(H,24,25);1H,(H2,8,9);12*1H/p-1/t;;20-;18-;17-;18-;;;;;;;;;;;;;/m..0000............./s1.

What are the key properties of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 2977.55 g/mol, XLogP of 24.48, 36 rotatable bonds, 8 hydrogen bond donors, and 42 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]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 158372000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).