4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C71H88Cl2F2N14O10S6 — CID 157213094

About 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 157213094) has the molecular formula C71H88Cl2F2N14O10S6 and a molecular weight of 1598.88 g/mol. Its IUPAC name is 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 157213094
• Molecular Formula: C71H88Cl2F2N14O10S6
• Molecular Weight: 1598.88 g/mol
• Exact Mass: 1596.45
• IUPAC Name: 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: C[C@@H](c1ccccc1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCN(c3cc(F)ccc3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCOCC2c2cc(Cl)cc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H29N5O3S2.C23H22Cl2N4O4S2.C23H23F2N5O3S2.7H2/c1-19(20-5-3-2-4-6-20)28-14-16-29(17-15-28)23-11-13-30(24(23)31)21-7-9-22(10-8-21)35(32,33)27-25-26-12-18-34-25;24-16-11-15(12-17(25)13-16)21-14-33-9-8-29(21)20-5-7-28(22(20)30)18-1-3-19(4-2-18)35(31,32)27-23-26-6-10-34-23;24-16-1-6-19(25)21(15-16)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;;;;;;;/h2-10,12,18-19,23H,11,13-17H2,1H3,(H,26,27);1-4,6,10-13,20-21H,5,7-9,14H2,(H,26,27);1-6,8,14-15,20H,7,9-13H2,(H,26,27);7*1H/t19-,23-;20-,21?;20-;;;;;;;/m000......./s1
• InChIKey: ASCNLBJGVBHQOV-RBKWEUQXSA-N
• XLogP: 12.73
• TPSA: 263.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.88
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 157213094) is 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@@H](c1ccccc1)N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCN(c3cc(F)ccc3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCOCC2c2cc(Cl)cc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is ASCNLBJGVBHQOV-RBKWEUQXSA-N. The full InChI is InChI=1S/C25H29N5O3S2.C23H22Cl2N4O4S2.C23H23F2N5O3S2.7H2/c1-19(20-5-3-2-4-6-20)28-14-16-29(17-15-28)23-11-13-30(24(23)31)21-7-9-22(10-8-21)35(32,33)27-25-26-12-18-34-25;24-16-11-15(12-17(25)13-16)21-14-33-9-8-29(21)20-5-7-28(22(20)30)18-1-3-19(4-2-18)35(31,32)27-23-26-6-10-34-23;24-16-1-6-19(25)21(15-16)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;;;;;;;/h2-10,12,18-19,23H,11,13-17H2,1H3,(H,26,27);1-4,6,10-13,20-21H,5,7-9,14H2,(H,26,27);1-6,8,14-15,20H,7,9-13H2,(H,26,27);7*1H/t19-,23-;20-,21?;20-;;;;;;;/m000......./s1.

What are the key properties of 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1598.88 g/mol, XLogP of 12.73, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[(1S)-1-phenylethyl]piperazin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 157213094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).