6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide

C71H79ClF4N18O9S6 — CID 158683453

About 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide

6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 158683453) has the molecular formula C71H79ClF4N18O9S6 and a molecular weight of 1632.38 g/mol. Its IUPAC name is 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide
• PubChem CID: 158683453
• Molecular Formula: C71H79ClF4N18O9S6
• Molecular Weight: 1632.38 g/mol
• Exact Mass: 1630.42
• IUPAC Name: 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide
• SMILES: C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2c(F)cccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2ccc(C(F)(F)F)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)N1CCCc2cc(Cl)ccc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H27ClN6O3S2.C24H23F3N6O3S2.C23H23FN6O3S2.3H2/c1-17(31-9-2-3-18-15-19(25)4-6-21(18)31)23(32)30-12-10-29(11-13-30)22-7-5-20(16-27-22)36(33,34)28-24-26-8-14-35-24;1-16(33-8-6-17-2-3-18(14-20(17)33)24(25,26)27)22(34)32-11-9-31(10-12-32)21-5-4-19(15-29-21)38(35,36)30-23-28-7-13-37-23;1-16(30-9-7-18-19(24)3-2-4-20(18)30)22(31)29-12-10-28(11-13-29)21-6-5-17(15-26-21)35(32,33)27-23-25-8-14-34-23;;;/h4-8,14-17H,2-3,9-13H2,1H3,(H,26,28);2-8,13-16H,9-12H2,1H3,(H,28,30);2-9,14-16H,10-13H2,1H3,(H,25,27);3*1H/t17-;2*16-;;;/m100.../s1
• InChIKey: IFKVZKCXDWMTMA-APCZZKELSA-N
• XLogP: 11.78
• TPSA: 299.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.38
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide (CID 158683453) is 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide is C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2c(F)cccc21.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2ccc(C(F)(F)F)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)N1CCCc2cc(Cl)ccc21.[H][H].[H][H].[H][H].

What is the InChIKey of 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The InChIKey is IFKVZKCXDWMTMA-APCZZKELSA-N. The full InChI is InChI=1S/C24H27ClN6O3S2.C24H23F3N6O3S2.C23H23FN6O3S2.3H2/c1-17(31-9-2-3-18-15-19(25)4-6-21(18)31)23(32)30-12-10-29(11-13-30)22-7-5-20(16-27-22)36(33,34)28-24-26-8-14-35-24;1-16(33-8-6-17-2-3-18(14-20(17)33)24(25,26)27)22(34)32-11-9-31(10-12-32)21-5-4-19(15-29-21)38(35,36)30-23-28-7-13-37-23;1-16(30-9-7-18-19(24)3-2-4-20(18)30)22(31)29-12-10-28(11-13-29)21-6-5-17(15-26-21)35(32,33)27-23-25-8-14-34-23;;;/h4-8,14-17H,2-3,9-13H2,1H3,(H,26,28);2-8,13-16H,9-12H2,1H3,(H,28,30);2-9,14-16H,10-13H2,1H3,(H,25,27);3*1H/t17-;2*16-;;;/m100.../s1.

What are the key properties of 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide?

6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 1632.38 g/mol, XLogP of 11.78, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;6-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-6-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158683453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).