4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C73H83Cl3FN17O9S5 — CID 157142203

About 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 157142203) has the molecular formula C73H83Cl3FN17O9S5 and a molecular weight of 1628.27 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 157142203
• Molecular Formula: C73H83Cl3FN17O9S5
• Molecular Weight: 1628.27 g/mol
• Exact Mass: 1625.42
• IUPAC Name: 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(Cl)c(Cl)cc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(F)c21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)n4ccc5ccc(Cl)cc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25FN6O3S.C24H23Cl2N5O3S2.C24H25ClN6O3S2.5H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;1-16(31-8-6-17-14-20(25)21(26)15-22(17)31)23(32)30-11-9-29(10-12-30)18-2-4-19(5-3-18)36(33,34)28-24-27-7-13-35-24;1-16(31-10-9-18-3-4-19(25)15-22(18)31)23(32)30-13-11-29(12-14-30)20-5-7-21(8-6-20)36(33,34)28-24-26-17(2)27-35-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-8,13-16H,9-12H2,1H3,(H,27,28);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);5*1H/t18-;;16-;;;;;/m0.1...../s1
• InChIKey: AKHVBGUNIFMVSL-XPSIXEKLSA-N
• XLogP: 13.79
• TPSA: 288.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1628.27
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 157142203) is 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(Cl)c(Cl)cc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(F)c21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)n4ccc5ccc(Cl)cc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is AKHVBGUNIFMVSL-XPSIXEKLSA-N. The full InChI is InChI=1S/C25H25FN6O3S.C24H23Cl2N5O3S2.C24H25ClN6O3S2.5H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;1-16(31-8-6-17-14-20(25)21(26)15-22(17)31)23(32)30-11-9-29(10-12-30)18-2-4-19(5-3-18)36(33,34)28-24-27-7-13-35-24;1-16(31-10-9-18-3-4-19(25)15-22(18)31)23(32)30-13-11-29(12-14-30)20-5-7-21(8-6-20)36(33,34)28-24-26-17(2)27-35-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-8,13-16H,9-12H2,1H3,(H,27,28);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);5*1H/t18-;;16-;;;;;/m0.1...../s1.

What are the key properties of 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1628.27 g/mol, XLogP of 13.79, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-dichloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157142203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).