4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen

C134H150Cl3F2N31O19S11 — CID 157148519

About 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen

4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen (PubChem CID 157148519) has the molecular formula C134H150Cl3F2N31O19S11 and a molecular weight of 2995.96 g/mol. Its IUPAC name is 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen
• PubChem CID: 157148519
• Molecular Formula: C134H150Cl3F2N31O19S11
• Molecular Weight: 2995.96 g/mol
• Exact Mass: 2991.77
• IUPAC Name: 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2c(Cl)cccc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(F)cc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cc(Cl)ccc21.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)N1CCCc2ccccc21.O=C(Nc1cccc(F)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1C(Oc2cccc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN6O3S2.C24H24FN5O3S2.C23H23ClN6O3S2.C23H25N5O3S2.C21H21FN6O3S.C19H16ClN3O4S2.8H2/c1-17-15-30(20-3-5-21(6-4-20)36(33,34)28-24-26-16-27-35-24)12-13-31(17)23(32)9-11-29-10-8-18-14-19(25)2-7-22(18)29;1-17-15-28(20-4-6-21(7-5-20)35(32,33)27-24-26-9-13-34-24)11-12-30(17)23(31)16-29-10-8-18-2-3-19(25)14-22(18)29;1-16(30-10-9-19-20(24)3-2-4-21(19)30)22(31)29-13-11-28(12-14-29)17-5-7-18(8-6-17)35(32,33)27-23-26-25-15-34-23;29-22(28-13-3-5-17-4-1-2-6-21(17)28)18-11-14-27(15-12-18)19-7-9-20(10-8-19)33(30,31)26-23-24-16-25-32-23;22-16-2-1-3-17(14-16)25-21(29)28-12-10-27(11-13-28)18-4-6-19(7-5-18)32(30,31)26-20-8-9-23-15-24-20;20-13-2-1-3-15(12-13)27-17-8-10-23(18(17)24)14-4-6-16(7-5-14)29(25,26)22-19-21-9-11-28-19;;;;;;;;/h2-8,10,14,16-17H,9,11-13,15H2,1H3,(H,26,27,28);2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,27);2-10,15-16H,11-14H2,1H3,(H,26,27);1-2,4,6-10,16,18H,3,5,11-15H2,(H,24,25,26);1-9,14-15H,10-13H2,(H,25,29)(H,23,24,26);1-7,9,11-12,17H,8,10H2,(H,21,22);8*1H/t17-;;;;;;;;;;;;;/m0............./s1
• InChIKey: AKZHVKRLSORWLZ-HPQPIBPPSA-N
• XLogP: 23.76
• TPSA: 580.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2995.96
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen (CID 157148519) is 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2c(Cl)cccc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(F)cc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cc(Cl)ccc21.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)N1CCCc2ccccc21.O=C(Nc1cccc(F)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1C(Oc2cccc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen?

The InChIKey is AKZHVKRLSORWLZ-HPQPIBPPSA-N. The full InChI is InChI=1S/C24H25ClN6O3S2.C24H24FN5O3S2.C23H23ClN6O3S2.C23H25N5O3S2.C21H21FN6O3S.C19H16ClN3O4S2.8H2/c1-17-15-30(20-3-5-21(6-4-20)36(33,34)28-24-26-16-27-35-24)12-13-31(17)23(32)9-11-29-10-8-18-14-19(25)2-7-22(18)29;1-17-15-28(20-4-6-21(7-5-20)35(32,33)27-24-26-9-13-34-24)11-12-30(17)23(31)16-29-10-8-18-2-3-19(25)14-22(18)29;1-16(30-10-9-19-20(24)3-2-4-21(19)30)22(31)29-13-11-28(12-14-29)17-5-7-18(8-6-17)35(32,33)27-23-26-25-15-34-23;29-22(28-13-3-5-17-4-1-2-6-21(17)28)18-11-14-27(15-12-18)19-7-9-20(10-8-19)33(30,31)26-23-24-16-25-32-23;22-16-2-1-3-17(14-16)25-21(29)28-12-10-27(11-13-28)18-4-6-19(7-5-18)32(30,31)26-20-8-9-23-15-24-20;20-13-2-1-3-15(12-13)27-17-8-10-23(18(17)24)14-4-6-16(7-5-14)29(25,26)22-19-21-9-11-28-19;;;;;;;;/h2-8,10,14,16-17H,9,11-13,15H2,1H3,(H,26,27,28);2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,27);2-10,15-16H,11-14H2,1H3,(H,26,27);1-2,4,6-10,16,18H,3,5,11-15H2,(H,24,25,26);1-9,14-15H,10-13H2,(H,25,29)(H,23,24,26);1-7,9,11-12,17H,8,10H2,(H,21,22);8*1H/t17-;;;;;;;;;;;;;/m0............./s1.

What are the key properties of 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen?

4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen has a molecular weight of 2995.96 g/mol, XLogP of 23.76, 35 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[3-(3-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157148519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).