3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C69H72Cl2F2N14O11S6 — CID 157344314

About 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157344314) 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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157344314
• 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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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)n1ccc2cccc(F)c21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(Cl)cc21.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/c1-17(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;1-16(29-11-9-17-3-2-4-20(25)22(17)29)23(32)28-12-13-30(21(31)15-28)18-5-7-19(8-6-18)36(33,34)27-24-26-10-14-35-24;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;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);2-11,14,16H,12-13,15H2,1H3,(H,26,27);1-6,11-13H,7-10,14H2,(H,24,25);3*1H/t17-;16-;;;;/m11..../s1
• InChIKey: BGTTZWOAAWTBHF-BLAXYHRASA-N
• XLogP: 12.14
• TPSA: 283.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.73
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157344314) is 3-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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)n1ccc2cccc(F)c21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(Cl)cc21.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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BGTTZWOAAWTBHF-BLAXYHRASA-N. The full InChI is InChI=1S/C24H24ClN5O3S2.C24H22FN5O4S2.C21H20ClFN4O4S2.3H2/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;1-16(29-11-9-17-3-2-4-20(25)22(17)29)23(32)28-12-13-30(21(31)15-28)18-5-7-19(8-6-18)36(33,34)27-24-26-10-14-35-24;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;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);2-11,14,16H,12-13,15H2,1H3,(H,26,27);1-6,11-13H,7-10,14H2,(H,24,25);3*1H/t17-;16-;;;;/m11..../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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-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 12.14, 19 rotatable bonds, 3 hydrogen bond donors, and 21 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-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157344314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).