4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C90H106Cl2FN21O14S7 — CID 159672449

About 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 159672449) has the molecular formula C90H106Cl2FN21O14S7 and a molecular weight of 2020.34 g/mol. Its IUPAC name is 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 159672449
• Molecular Formula: C90H106Cl2FN21O14S7
• Molecular Weight: 2020.34 g/mol
• Exact Mass: 2017.56
• IUPAC Name: 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: C[C@H](C(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C1)n1ccc2c(F)cccc21.Cc1nc(-c2ccc(CN3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)cc2)no1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1CO.O=C1C(Oc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H24ClN5O4S2.C24H25N7O3S.C23H23FN6O3S2.C19H16ClN3O4S2.9H2/c25-18-2-1-17-7-9-29(22(17)13-18)15-23(32)30-11-10-28(14-20(30)16-31)19-3-5-21(6-4-19)36(33,34)27-24-26-8-12-35-24;1-18-27-24(28-34-18)20-4-2-19(3-5-20)16-30-12-14-31(15-13-30)21-6-8-22(9-7-21)35(32,33)29-23-10-11-25-17-26-23;1-15(30-12-10-19-20(24)3-2-4-21(19)30)22(31)27-16-9-11-29(13-16)17-5-7-18(8-6-17)35(32,33)28-23-25-14-26-34-23;20-13-1-5-15(6-2-13)27-17-9-11-23(18(17)24)14-3-7-16(8-4-14)29(25,26)22-19-21-10-12-28-19;;;;;;;;;/h1-9,12-13,20,31H,10-11,14-16H2,(H,26,27);2-11,17H,12-16H2,1H3,(H,25,26,29);2-8,10,12,14-16H,9,11,13H2,1H3,(H,27,31)(H,25,26,28);1-8,10,12,17H,9,11H2,(H,21,22);9*1H/t20-;;15-,16-;;;;;;;;;;/m1.1........../s1
• InChIKey: MUEALEMEGGRRAW-RPIUALOPSA-N
• XLogP: 15.60
• TPSA: 422.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.34
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 159672449) is 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is C[C@H](C(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C1)n1ccc2c(F)cccc21.Cc1nc(-c2ccc(CN3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)cc2)no1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1CO.O=C1C(Oc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is MUEALEMEGGRRAW-RPIUALOPSA-N. The full InChI is InChI=1S/C24H24ClN5O4S2.C24H25N7O3S.C23H23FN6O3S2.C19H16ClN3O4S2.9H2/c25-18-2-1-17-7-9-29(22(17)13-18)15-23(32)30-11-10-28(14-20(30)16-31)19-3-5-21(6-4-19)36(33,34)27-24-26-8-12-35-24;1-18-27-24(28-34-18)20-4-2-19(3-5-20)16-30-12-14-31(15-13-30)21-6-8-22(9-7-21)35(32,33)29-23-10-11-25-17-26-23;1-15(30-12-10-19-20(24)3-2-4-21(19)30)22(31)27-16-9-11-29(13-16)17-5-7-18(8-6-17)35(32,33)28-23-25-14-26-34-23;20-13-1-5-15(6-2-13)27-17-9-11-23(18(17)24)14-3-7-16(8-4-14)29(25,26)22-19-21-10-12-28-19;;;;;;;;;/h1-9,12-13,20,31H,10-11,14-16H2,(H,26,27);2-11,17H,12-16H2,1H3,(H,25,26,29);2-8,10,12,14-16H,9,11,13H2,1H3,(H,27,31)(H,25,26,28);1-8,10,12,17H,9,11H2,(H,21,22);9*1H/t20-;;15-,16-;;;;;;;;;;/m1.1........../s1.

What are the key properties of 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2020.34 g/mol, XLogP of 15.60, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(2R)-2-(4-fluoroindol-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159672449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).