4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C96H106ClF7N20O14S8 — CID 161082080

About 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161082080) has the molecular formula C96H106ClF7N20O14S8 and a molecular weight of 2189.00 g/mol. Its IUPAC name is 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 161082080
• Molecular Formula: C96H106ClF7N20O14S8
• Molecular Weight: 2189.00 g/mol
• Exact Mass: 2186.55
• IUPAC Name: 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2ccc(C(F)(F)F)cc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2cc(F)c(F)cc21.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2c(F)cccc21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)COc4ccc(F)c(Cl)c4)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H24F3N5O4S2.C25H26FN5O3S2.C24H23F2N5O3S2.C21H21ClFN5O4S2.6H2/c1-25(2,34-11-9-17-3-4-18(15-21(17)34)26(27,28)29)23(36)32-12-13-33(22(35)16-32)19-5-7-20(8-6-19)40(37,38)31-24-30-10-14-39-24;1-17-16-29(19-6-8-20(9-7-19)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-21-22(26)4-3-5-23(21)31;1-16-14-29(18-2-4-19(5-3-18)36(33,34)28-24-27-7-11-35-24)9-10-31(16)23(32)15-30-8-6-17-12-20(25)21(26)13-22(17)30;1-14-24-21(33-25-14)26-34(30,31)17-5-2-15(3-6-17)27-8-10-28(11-9-27)20(29)13-32-16-4-7-19(23)18(22)12-16;;;;;;/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);2-8,11-13,16H,9-10,14-15H2,1H3,(H,27,28);2-7,12H,8-11,13H2,1H3,(H,24,25,26);6*1H/t;17-,18+;;;;;;;;/m.1......../s1
• InChIKey: UGATWRRNGTVEPH-OEWNSKDLSA-N
• XLogP: 17.42
• TPSA: 384.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.00
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161082080) is 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2ccc(C(F)(F)F)cc21.CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2cc(F)c(F)cc21.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2c(F)cccc21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)COc4ccc(F)c(Cl)c4)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is UGATWRRNGTVEPH-OEWNSKDLSA-N. The full InChI is InChI=1S/C26H24F3N5O4S2.C25H26FN5O3S2.C24H23F2N5O3S2.C21H21ClFN5O4S2.6H2/c1-25(2,34-11-9-17-3-4-18(15-21(17)34)26(27,28)29)23(36)32-12-13-33(22(35)16-32)19-5-7-20(8-6-19)40(37,38)31-24-30-10-14-39-24;1-17-16-29(19-6-8-20(9-7-19)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-21-22(26)4-3-5-23(21)31;1-16-14-29(18-2-4-19(5-3-18)36(33,34)28-24-27-7-11-35-24)9-10-31(16)23(32)15-30-8-6-17-12-20(25)21(26)13-22(17)30;1-14-24-21(33-25-14)26-34(30,31)17-5-2-15(3-6-17)27-8-10-28(11-9-27)20(29)13-32-16-4-7-19(23)18(22)12-16;;;;;;/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);2-8,11-13,16H,9-10,14-15H2,1H3,(H,27,28);2-7,12H,8-11,13H2,1H3,(H,24,25,26);6*1H/t;17-,18+;;;;;;;;/m.1......../s1.

What are the key properties of 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2189.00 g/mol, XLogP of 17.42, 25 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5,6-difluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161082080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).