2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C90H100Cl3F2N19O14S7 — CID 158863649

About 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 158863649) has the molecular formula C90H100Cl3F2N19O14S7 and a molecular weight of 2040.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 158863649
• Molecular Formula: C90H100Cl3F2N19O14S7
• Molecular Weight: 2040.73 g/mol
• Exact Mass: 2037.48
• IUPAC Name: 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(Cl)cc21.O=C(COc1ccc(F)c(Cl)c1)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H24ClN5O3S2.C23H21FN6O3S.C22H22ClFN4O4S2.C21H21ClN4O4S2.6H2/c1-17(30-10-8-18-2-3-19(25)16-22(18)30)23(31)29-13-11-28(12-14-29)20-4-6-21(7-5-20)35(32,33)27-24-26-9-15-34-24;24-20-2-1-3-21-19(20)9-11-30(21)23(31)29-14-12-28(13-15-29)17-4-6-18(7-5-17)34(32,33)27-22-8-10-25-16-26-22;23-19-13-17(3-6-20(19)24)32-14-21(29)26-15-7-10-28(11-8-15)16-1-4-18(5-2-16)34(30,31)27-22-25-9-12-33-22;1-30-19-14-15(22)2-7-18(19)20(27)26-11-9-25(10-12-26)16-3-5-17(6-4-16)32(28,29)24-21-23-8-13-31-21;;;;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);1-11,16H,12-15H2,(H,25,26,27);1-6,9,12-13,15H,7-8,10-11,14H2,(H,25,27)(H,26,29);2-8,13-14H,9-12H2,1H3,(H,23,24);6*1H/t17-;;;;;;;;;/m0........./s1
• InChIKey: JAYLOYHHJVAYKG-HOEMFOBCSA-N
• XLogP: 16.57
• TPSA: 380.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2040.73
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 158863649) is 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(Cl)cc21.O=C(COc1ccc(F)c(Cl)c1)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is JAYLOYHHJVAYKG-HOEMFOBCSA-N. The full InChI is InChI=1S/C24H24ClN5O3S2.C23H21FN6O3S.C22H22ClFN4O4S2.C21H21ClN4O4S2.6H2/c1-17(30-10-8-18-2-3-19(25)16-22(18)30)23(31)29-13-11-28(12-14-29)20-4-6-21(7-5-20)35(32,33)27-24-26-9-15-34-24;24-20-2-1-3-21-19(20)9-11-30(21)23(31)29-14-12-28(13-15-29)17-4-6-18(7-5-17)34(32,33)27-22-8-10-25-16-26-22;23-19-13-17(3-6-20(19)24)32-14-21(29)26-15-7-10-28(11-8-15)16-1-4-18(5-2-16)34(30,31)27-22-25-9-12-33-22;1-30-19-14-15(22)2-7-18(19)20(27)26-11-9-25(10-12-26)16-3-5-17(6-4-16)32(28,29)24-21-23-8-13-31-21;;;;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);1-11,16H,12-15H2,(H,25,26,27);1-6,9,12-13,15H,7-8,10-11,14H2,(H,25,27)(H,26,29);2-8,13-14H,9-12H2,1H3,(H,23,24);6*1H/t17-;;;;;;;;;/m0........./s1.

What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2040.73 g/mol, XLogP of 16.57, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenoxy)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]acetamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).