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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide

C72H80ClF4N17O9S6 — CID 160878671

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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 160878671) has the molecular formula C72H80ClF4N17O9S6 and a molecular weight of 1631.39 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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 160878671
• Molecular Formula: C72H80ClF4N17O9S6
• Molecular Weight: 1631.39 g/mol
• Exact Mass: 1629.43
• 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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)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/C25H24F3N5O3S2.C24H25ClN6O3S2.C23H23FN6O3S2.4H2/c1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24;1-16(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(30-9-8-17-14-18(24)2-7-21(17)30)22(31)29-12-10-28(11-13-29)19-3-5-20(6-4-19)35(32,33)27-23-26-25-15-34-23;;;;/h2-10,15-17H,11-14H2,1H3,(H,29,30);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27);4*1H/t17-;;;;;;/m1....../s1
• InChIKey: SMSXDUBXFJFPLK-MFGRGHSBSA-N
• XLogP: 13.32
• TPSA: 288.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.39
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 160878671) 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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is SMSXDUBXFJFPLK-MFGRGHSBSA-N. The full InChI is InChI=1S/C25H24F3N5O3S2.C24H25ClN6O3S2.C23H23FN6O3S2.4H2/c1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24;1-16(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(30-9-8-17-14-18(24)2-7-21(17)30)22(31)29-12-10-28(11-13-29)19-3-5-20(6-4-19)35(32,33)27-23-26-25-15-34-23;;;;/h2-10,15-17H,11-14H2,1H3,(H,29,30);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27);4*1H/t17-;;;;;;/m1....../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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 1631.39 g/mol, XLogP of 13.32, 18 rotatable bonds, 3 hydrogen bond donors, and 23 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-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 160878671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).