4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine

C99H117Cl2FN19O13S7- — CID 162171191

About 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine (PubChem CID 162171191) has the molecular formula C99H117Cl2FN19O13S7- and a molecular weight of 2095.52 g/mol. Its IUPAC name is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine
• PubChem CID: 162171191
• Molecular Formula: C99H117Cl2FN19O13S7-
• Molecular Weight: 2095.52 g/mol
• Exact Mass: 2092.65
• IUPAC Name: 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine
• SMILES: COc1cccc(CN2CCN([C@H]3CCN(c4ccc(S(=O)[O-])cc4)C3=O)CC2)c1.Cc1ccc2c(c1)C1(CCNCC1)CC2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.N#Cc1ccc(C2CCN([C@H]3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C3=O)CC2)cc1.Nc1nccs1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H30N4O3S2.C25H25N5O3S2.C22H18Cl2FN5O3S.C22H27N3O4S.C3H4N2S.7H2/c1-18-2-7-21-23(17-27(24(21)16-18)9-11-28-12-10-27)22-8-14-31(25(22)32)19-3-5-20(6-4-19)36(33,34)30-26-29-13-15-35-26;26-17-18-1-3-19(4-2-18)20-9-13-29(14-10-20)23-11-15-30(24(23)31)21-5-7-22(8-6-21)35(32,33)28-25-27-12-16-34-25;23-19-7-8-20(27-26-19)28-34(32,33)14-3-1-13(2-4-14)29-12-10-18(22(29)31)30-11-9-15-17(30)6-5-16(25)21(15)24;1-29-19-4-2-3-17(15-19)16-23-11-13-24(14-12-23)21-9-10-25(22(21)26)18-5-7-20(8-6-18)30(27)28;4-3-5-1-2-6-3;;;;;;;/h2-7,13,15-16,22-23,28H,8-12,14,17H2,1H3,(H,29,30);1-8,12,16,20,23H,9-11,13-15H2,(H,27,28);1-8,18H,9-12H2,(H,27,28);2-8,15,21H,9-14,16H2,1H3,(H,27,28);1-2H,(H2,4,5);7*1H/p-1/t22-,23?;23-;18-;21-;;;;;;;;/m1000......../s1
• InChIKey: OODSQCPHVHSGBJ-YZJNAGKZSA-M
• XLogP: 16.41
• TPSA: 408.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.52
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine (CID 162171191) is 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine is COc1cccc(CN2CCN([C@H]3CCN(c4ccc(S(=O)[O-])cc4)C3=O)CC2)c1.Cc1ccc2c(c1)C1(CCNCC1)CC2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.N#Cc1ccc(C2CCN([C@H]3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C3=O)CC2)cc1.Nc1nccs1.O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.[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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine?

The InChIKey is OODSQCPHVHSGBJ-YZJNAGKZSA-M. The full InChI is InChI=1S/C27H30N4O3S2.C25H25N5O3S2.C22H18Cl2FN5O3S.C22H27N3O4S.C3H4N2S.7H2/c1-18-2-7-21-23(17-27(24(21)16-18)9-11-28-12-10-27)22-8-14-31(25(22)32)19-3-5-20(6-4-19)36(33,34)30-26-29-13-15-35-26;26-17-18-1-3-19(4-2-18)20-9-13-29(14-10-20)23-11-15-30(24(23)31)21-5-7-22(8-6-21)35(32,33)28-25-27-12-16-34-25;23-19-7-8-20(27-26-19)28-34(32,33)14-3-1-13(2-4-14)29-12-10-18(22(29)31)30-11-9-15-17(30)6-5-16(25)21(15)24;1-29-19-4-2-3-17(15-19)16-23-11-13-24(14-12-23)21-9-10-25(22(21)26)18-5-7-20(8-6-18)30(27)28;4-3-5-1-2-6-3;;;;;;;/h2-7,13,15-16,22-23,28H,8-12,14,17H2,1H3,(H,29,30);1-8,12,16,20,23H,9-11,13-15H2,(H,27,28);1-8,18H,9-12H2,(H,27,28);2-8,15,21H,9-14,16H2,1H3,(H,27,28);1-2H,(H2,4,5);7*1H/p-1/t22-,23?;23-;18-;21-;;;;;;;;/m1000......../s1.

What are the key properties of 4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine?

4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine has a molecular weight of 2095.52 g/mol, XLogP of 16.41, 22 rotatable bonds, 5 hydrogen bond donors, and 28 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-(6-chloropyridazin-3-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-cyanophenyl)piperidin-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]benzenesulfinate;4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;1,3-thiazol-2-amine is sourced from PubChem (CID 162171191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).