About 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-[(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 158962599) has the molecular formula C72H81ClF4N14O11S5
and a molecular weight of 1590.31 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-[(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.
Analyze 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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 with MolForge
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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-[(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-[(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 158962599) is 4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-[(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-[(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.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-[(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 JMUOIVOYBNCKEW-OTWBJDLDSA-N. The full InChI is InChI=1S/C24H23ClN4O4S2.C24H24F3N5O4S.C24H24FN5O3S2.5H2/c25-20-3-1-2-17-8-12-29(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;;;;;/h1-8,11-12,15,31H,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/t;;17-;;;;;/m..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-[(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-[(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 1590.31 g/mol, XLogP of 12.65, 19 rotatable bonds, 4 hydrogen bond donors, and 21 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-[(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 158962599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).