3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C69H72Cl2F2N14O11S6 — CID 157372666

About 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157372666) has the molecular formula C69H72Cl2F2N14O11S6 and a molecular weight of 1574.73 g/mol. Its IUPAC name is 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157372666
• Molecular Formula: C69H72Cl2F2N14O11S6
• Molecular Weight: 1574.73 g/mol
• Exact Mass: 1572.32
• IUPAC Name: 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)c1c[nH]c2cccc(F)c12.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)c1c[nH]c2ccc(Cl)cc12.O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2cccc(S(=O)(=O)Nc3nccs3)c2)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H24ClN5O3S2.C24H22FN5O4S2.C21H20ClFN4O4S2.3H2/c1-16(21-15-27-22-7-2-17(25)14-20(21)22)23(31)30-11-9-29(10-12-30)18-3-5-19(6-4-18)35(32,33)28-24-26-8-13-34-24;1-15(18-13-27-20-4-2-3-19(25)22(18)20)23(32)29-10-11-30(21(31)14-29)16-5-7-17(8-6-16)36(33,34)28-24-26-9-12-35-24;22-18-13-16(4-5-19(18)23)31-14-20(28)27-9-7-26(8-10-27)15-2-1-3-17(12-15)33(29,30)25-21-24-6-11-32-21;;;/h2-8,13-16,27H,9-12H2,1H3,(H,26,28);2-9,12-13,15,27H,10-11,14H2,1H3,(H,26,28);1-6,11-13H,7-10,14H2,(H,24,25);3*1H/t16-;15-;;;;/m00..../s1
• InChIKey: BJYHLAUZXJOGND-OGAFMORTSA-N
• XLogP: 12.28
• TPSA: 305.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.73
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157372666) is 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)c1c[nH]c2cccc(F)c12.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)c1c[nH]c2ccc(Cl)cc12.O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2cccc(S(=O)(=O)Nc3nccs3)c2)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BJYHLAUZXJOGND-OGAFMORTSA-N. The full InChI is InChI=1S/C24H24ClN5O3S2.C24H22FN5O4S2.C21H20ClFN4O4S2.3H2/c1-16(21-15-27-22-7-2-17(25)14-20(21)22)23(31)30-11-9-29(10-12-30)18-3-5-19(6-4-18)35(32,33)28-24-26-8-13-34-24;1-15(18-13-27-20-4-2-3-19(25)22(18)20)23(32)29-10-11-30(21(31)14-29)16-5-7-17(8-6-16)36(33,34)28-24-26-9-12-35-24;22-18-13-16(4-5-19(18)23)31-14-20(28)27-9-7-26(8-10-27)15-2-1-3-17(12-15)33(29,30)25-21-24-6-11-32-21;;;/h2-8,13-16,27H,9-12H2,1H3,(H,26,28);2-9,12-13,15,27H,10-11,14H2,1H3,(H,26,28);1-6,11-13H,7-10,14H2,(H,24,25);3*1H/t16-;15-;;;;/m00..../s1.

What are the key properties of 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1574.73 g/mol, XLogP of 12.28, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(5-chloro-1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoro-1H-indol-3-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157372666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).