4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide

C70H78ClF4N19O9S6 — CID 160885824

About 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 160885824) has the molecular formula C70H78ClF4N19O9S6 and a molecular weight of 1633.36 g/mol. Its IUPAC name is 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 160885824
• Molecular Formula: C70H78ClF4N19O9S6
• Molecular Weight: 1633.36 g/mol
• Exact Mass: 1631.42
• IUPAC Name: 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2cc(F)cnc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN6O3S2.C24H23F3N6O3S2.C22H22FN7O3S2.4H2/c1-16(31-10-9-18-15-19(25)3-8-22(18)31)23(32)30-13-11-29(12-14-30)20-4-6-21(7-5-20)36(33,34)28-24-26-17(2)27-35-24;1-16(33-9-8-17-2-3-18(14-21(17)33)24(25,26)27)22(34)32-12-10-31(11-13-32)19-4-6-20(7-5-19)38(35,36)30-23-28-15-29-37-23;1-15(30-7-6-16-12-17(23)13-24-20(16)30)21(31)29-10-8-28(9-11-29)18-2-4-19(5-3-18)35(32,33)27-22-26-25-14-34-22;;;;/h3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,28,29,30);2-7,12-15H,8-11H2,1H3,(H,26,27);4*1H/t;16-;;;;;/m.1...../s1
• InChIKey: SNPRIUSYGUTEAV-IDGANSILSA-N
• XLogP: 12.11
• TPSA: 314.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.36
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?

The IUPAC name of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 160885824) is 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1)n1ccc2cc(F)cnc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is SNPRIUSYGUTEAV-IDGANSILSA-N. The full InChI is InChI=1S/C24H25ClN6O3S2.C24H23F3N6O3S2.C22H22FN7O3S2.4H2/c1-16(31-10-9-18-15-19(25)3-8-22(18)31)23(32)30-13-11-29(12-14-30)20-4-6-21(7-5-20)36(33,34)28-24-26-17(2)27-35-24;1-16(33-9-8-17-2-3-18(14-21(17)33)24(25,26)27)22(34)32-12-10-31(11-13-32)19-4-6-20(7-5-19)38(35,36)30-23-28-15-29-37-23;1-15(30-7-6-16-12-17(23)13-24-20(16)30)21(31)29-10-8-28(9-11-29)18-2-4-19(5-3-18)35(32,33)27-22-26-25-14-34-22;;;;/h3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,28,29,30);2-7,12-15H,8-11H2,1H3,(H,26,27);4*1H/t;16-;;;;;/m.1...../s1.

What are the key properties of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?

4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 1633.36 g/mol, XLogP of 12.11, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 160885824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).