4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

C97H106Cl2F4N20O14S6 — CID 157237878

About 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 157237878) has the molecular formula C97H106Cl2F4N20O14S6 and a molecular weight of 2115.34 g/mol. Its IUPAC name is 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 157237878
• Molecular Formula: C97H106Cl2F4N20O14S6
• Molecular Weight: 2115.34 g/mol
• Exact Mass: 2112.58
• IUPAC Name: 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
• SMILES: CC(Oc1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cccc(F)c21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1)n1ccc2ccc(Cl)cc21.O=C(Cn1ccc2cccc(Cl)c21)N1CCC(O)(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25ClN6O3S.C24H23ClN4O4S2.C24H24F3N5O4S.C24H24FN5O3S2.5H2/c1-18(32-12-9-19-3-4-20(26)17-23(19)32)24(33)31-15-13-30(14-16-31)21-5-7-22(8-6-21)36(34,35)29-25-27-10-2-11-28-25;25-20-3-1-2-17-8-12-29(22(17)20)16-21(30)28-13-9-24(31,10-14-28)18-4-6-19(7-5-18)35(32,33)27-23-26-11-15-34-23;1-17(36-20-4-2-3-18(15-20)24(25,26)27)23(33)32-13-11-31(12-14-32)19-5-7-21(8-6-19)37(34,35)30-22-9-10-28-16-29-22;1-17(30-11-9-18-3-2-4-21(25)22(18)30)23(31)29-14-12-28(13-15-29)19-5-7-20(8-6-19)35(32,33)27-24-26-10-16-34-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);1-8,11-12,15,31H,9-10,13-14,16H2,(H,26,27);2-10,15-17H,11-14H2,1H3,(H,28,29,30);2-11,16-17H,12-15H2,1H3,(H,26,27);5*1H/t18-;;;17-;;;;;/m1..0...../s1
• InChIKey: AUVUHCHNNBNINJ-FWNAOPHCSA-N
• XLogP: 16.45
• TPSA: 397.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.34
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?

The IUPAC name of 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 157237878) is 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is CC(Oc1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cccc(F)c21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1)n1ccc2ccc(Cl)cc21.O=C(Cn1ccc2cccc(Cl)c21)N1CCC(O)(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is AUVUHCHNNBNINJ-FWNAOPHCSA-N. The full InChI is InChI=1S/C25H25ClN6O3S.C24H23ClN4O4S2.C24H24F3N5O4S.C24H24FN5O3S2.5H2/c1-18(32-12-9-19-3-4-20(26)17-23(19)32)24(33)31-15-13-30(14-16-31)21-5-7-22(8-6-21)36(34,35)29-25-27-10-2-11-28-25;25-20-3-1-2-17-8-12-29(22(17)20)16-21(30)28-13-9-24(31,10-14-28)18-4-6-19(7-5-18)35(32,33)27-23-26-11-15-34-23;1-17(36-20-4-2-3-18(15-20)24(25,26)27)23(33)32-13-11-31(12-14-32)19-5-7-21(8-6-19)37(34,35)30-22-9-10-28-16-29-22;1-17(30-11-9-18-3-2-4-21(25)22(18)30)23(31)29-14-12-28(13-15-29)19-5-7-20(8-6-19)35(32,33)27-24-26-10-16-34-24;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);1-8,11-12,15,31H,9-10,13-14,16H2,(H,26,27);2-10,15-17H,11-14H2,1H3,(H,28,29,30);2-11,16-17H,12-15H2,1H3,(H,26,27);5*1H/t18-;;;17-;;;;;/m1..0...../s1.

What are the key properties of 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?

4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 2115.34 g/mol, XLogP of 16.45, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 157237878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).