4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C73H84ClFN16O9S5 — CID 159179723

About 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159179723) has the molecular formula C73H84ClFN16O9S5 and a molecular weight of 1544.36 g/mol. Its IUPAC name is 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 159179723
• Molecular Formula: C73H84ClFN16O9S5
• Molecular Weight: 1544.36 g/mol
• Exact Mass: 1542.49
• IUPAC Name: 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25FN6O3S.C24H24ClN5O3S2.C24H25N5O3S2.5H2/c1-18(32-12-10-21-22(26)3-2-4-23(21)32)25(33)31-15-13-30(14-16-31)19-5-7-20(8-6-19)36(34,35)29-24-9-11-27-17-28-24;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;1-18(29-12-10-19-4-2-3-5-22(19)29)23(30)28-15-13-27(14-16-28)20-6-8-21(9-7-20)34(31,32)26-24-25-11-17-33-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,27);2-12,17-18H,13-16H2,1H3,(H,25,26);5*1H/t18-;17-;;;;;;/m00....../s1
• InChIKey: KMSSQKCYGICXDI-VLHKSDRQSA-N
• XLogP: 12.61
• TPSA: 275.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1544.36
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159179723) is 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is KMSSQKCYGICXDI-VLHKSDRQSA-N. The full InChI is InChI=1S/C25H25FN6O3S.C24H24ClN5O3S2.C24H25N5O3S2.5H2/c1-18(32-12-10-21-22(26)3-2-4-23(21)32)25(33)31-15-13-30(14-16-31)19-5-7-20(8-6-19)36(34,35)29-24-9-11-27-17-28-24;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;1-18(29-12-10-19-4-2-3-5-22(19)29)23(30)28-15-13-27(14-16-28)20-6-8-21(9-7-20)34(31,32)26-24-25-11-17-33-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,27);2-12,17-18H,13-16H2,1H3,(H,25,26);5*1H/t18-;17-;;;;;;/m00....../s1.

What are the key properties of 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1544.36 g/mol, XLogP of 12.61, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159179723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).