4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C71H81Cl3FN13O10S6 — CID 157143770

About 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157143770) has the molecular formula C71H81Cl3FN13O10S6 and a molecular weight of 1594.27 g/mol. Its IUPAC name is 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157143770
• Molecular Formula: C71H81Cl3FN13O10S6
• Molecular Weight: 1594.27 g/mol
• Exact Mass: 1591.36
• IUPAC Name: 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C1[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3ccc(F)c(Cl)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN4O4S2.C24H25ClN4O3S2.C23H23ClFN5O3S2.4H2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23;25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;24-19-15-17(3-6-20(19)25)28-10-12-29(13-11-28)21-7-9-30(22(21)31)16-1-4-18(5-2-16)35(32,33)27-23-26-8-14-34-23;;;;/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27);1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);1-6,8,14-15,21H,7,9-13H2,(H,26,27);4*1H/t21-,24?;22-;21-;;;;/m000..../s1
• InChIKey: AKMCKABPSVPIRD-AKEPSLTNSA-N
• XLogP: 13.18
• TPSA: 260.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.27
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157143770) is 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C1[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3ccc(F)c(Cl)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is AKMCKABPSVPIRD-AKEPSLTNSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2.C24H25ClN4O3S2.C23H23ClFN5O3S2.4H2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23;25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;24-19-15-17(3-6-20(19)25)28-10-12-29(13-11-28)21-7-9-30(22(21)31)16-1-4-18(5-2-16)35(32,33)27-23-26-8-14-34-23;;;;/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27);1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);1-6,8,14-15,21H,7,9-13H2,(H,26,27);4*1H/t21-,24?;22-;21-;;;;/m000..../s1.

What are the key properties of 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1594.27 g/mol, XLogP of 13.18, 18 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157143770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).