4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C97H115F4N23O12S6 — CID 158550756

About 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 158550756) has the molecular formula C97H115F4N23O12S6 and a molecular weight of 2063.53 g/mol. Its IUPAC name is 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 158550756
• Molecular Formula: C97H115F4N23O12S6
• Molecular Weight: 2063.53 g/mol
• Exact Mass: 2061.74
• IUPAC Name: 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(F)c21.Cc1ccc(F)cc1NC(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(F)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25FN6O3S.C24H25FN6O3S2.C24H27FN6O3S.C24H24FN5O3S2.7H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;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;1-17-3-4-19(25)15-22(17)28-18(2)24(32)31-13-11-30(12-14-31)20-5-7-21(8-6-20)35(33,34)29-23-9-10-26-16-27-23;1-16(30-14-11-20-21(25)3-2-4-22(20)30)23(31)29-12-9-18(10-13-29)17-5-7-19(8-6-17)35(32,33)28-24-26-15-27-34-24;;;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);3-10,15-16,18,28H,11-14H2,1-2H3,(H,26,27,29);2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,26,27,28);7*1H/t18-;;;16-;;;;;;;/m1..0......./s1
• InChIKey: HPRNEHXOAQWDFV-AWOMVPJQSA-N
• XLogP: 15.93
• TPSA: 405.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.53
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 158550756) is 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is C[C@@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(F)c21.Cc1ccc(F)cc1NC(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5cc(F)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is HPRNEHXOAQWDFV-AWOMVPJQSA-N. The full InChI is InChI=1S/C25H25FN6O3S.C24H25FN6O3S2.C24H27FN6O3S.C24H24FN5O3S2.7H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;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;1-17-3-4-19(25)15-22(17)28-18(2)24(32)31-13-11-30(12-14-31)20-5-7-21(8-6-20)35(33,34)29-23-9-10-26-16-27-23;1-16(30-14-11-20-21(25)3-2-4-22(20)30)23(31)29-12-9-18(10-13-29)17-5-7-19(8-6-17)35(32,33)28-24-26-15-27-34-24;;;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);3-10,15-16H,11-14H2,1-2H3,(H,26,27,28);3-10,15-16,18,28H,11-14H2,1-2H3,(H,26,27,29);2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,26,27,28);7*1H/t18-;;;16-;;;;;;;/m1..0......./s1.

What are the key properties of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2063.53 g/mol, XLogP of 15.93, 25 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2R)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).