8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone

C122H119Cl2F11N10O23S4 — CID 160819667

About 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone

8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone (PubChem CID 160819667) has the molecular formula C122H119Cl2F11N10O23S4 and a molecular weight of 2501.49 g/mol. Its IUPAC name is 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone.

Molecular Properties

• Compound Name: 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone
• PubChem CID: 160819667
• Molecular Formula: C122H119Cl2F11N10O23S4
• Molecular Weight: 2501.49 g/mol
• Exact Mass: 2498.65
• IUPAC Name: 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone
• SMILES: CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)Cc2ccc(C(=O)CO)cc21.COc1ccccc1-c1nc(CN2CCc3ccc(C(=O)CO)cc3CC2)no1.O=C(CO)c1ccc2c(c1)CCN(CCOc1ccc(Cl)cc1)CC2.O=C(CO)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCC2.O=C(NO)c1cc(Cl)c2c(c1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.O=C(NO)c1cc(F)c2c(c1)CCN(S(=O)(=O)c1cccc(-c3ccc(F)cc3)c1)CC2
• InChI: InChI=1S/C23H20F2N2O4S.C22H23N3O4.C20H22ClNO3.2C20H20F3NO4S.C17H14ClF3N2O4S/c24-19-6-4-15(5-7-19)16-2-1-3-20(13-16)32(30,31)27-10-8-17-12-18(23(28)26-29)14-22(25)21(17)9-11-27;1-28-20-5-3-2-4-18(20)22-23-21(24-29-22)13-25-10-8-15-6-7-17(19(27)14-26)12-16(15)9-11-25;21-18-3-5-19(6-4-18)25-12-11-22-9-7-15-1-2-17(20(24)14-23)13-16(15)8-10-22;1-19(2)12-24(10-14-4-3-13(9-17(14)19)18(26)11-25)29(27,28)16-7-5-15(6-8-16)20(21,22)23;21-20(22,23)17-5-7-18(8-6-17)29(27,28)24-10-1-2-14-3-4-16(19(26)13-25)12-15(14)9-11-24;18-15-8-11(16(24)22-25)7-10-5-6-23(9-14(10)15)28(26,27)13-3-1-12(2-4-13)17(19,20)21/h1-7,12-14,29H,8-11H2,(H,26,28);2-7,12,26H,8-11,13-14H2,1H3;1-6,13,23H,7-12,14H2;3-9,25H,10-12H2,1-2H3;3-8,12,25H,1-2,9-11,13H2;1-4,7-8,25H,5-6,9H2,(H,22,24)
• InChIKey: SFJGOAAJJLPWPM-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 461.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.49
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone?

The IUPAC name of 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone (CID 160819667) is 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone.

What is the SMILES notation for 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone?

The canonical SMILES for 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone is CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)Cc2ccc(C(=O)CO)cc21.COc1ccccc1-c1nc(CN2CCc3ccc(C(=O)CO)cc3CC2)no1.O=C(CO)c1ccc2c(c1)CCN(CCOc1ccc(Cl)cc1)CC2.O=C(CO)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCC2.O=C(NO)c1cc(Cl)c2c(c1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.O=C(NO)c1cc(F)c2c(c1)CCN(S(=O)(=O)c1cccc(-c3ccc(F)cc3)c1)CC2.

What is the InChIKey of 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone?

The InChIKey is SFJGOAAJJLPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4S.C22H23N3O4.C20H22ClNO3.2C20H20F3NO4S.C17H14ClF3N2O4S/c24-19-6-4-15(5-7-19)16-2-1-3-20(13-16)32(30,31)27-10-8-17-12-18(23(28)26-29)14-22(25)21(17)9-11-27;1-28-20-5-3-2-4-18(20)22-23-21(24-29-22)13-25-10-8-15-6-7-17(19(27)14-26)12-16(15)9-11-25;21-18-3-5-19(6-4-18)25-12-11-22-9-7-15-1-2-17(20(24)14-23)13-16(15)8-10-22;1-19(2)12-24(10-14-4-3-13(9-17(14)19)18(26)11-25)29(27,28)16-7-5-15(6-8-16)20(21,22)23;21-20(22,23)17-5-7-18(8-6-17)29(27,28)24-10-1-2-14-3-4-16(19(26)13-25)12-15(14)9-11-24;18-15-8-11(16(24)22-25)7-10-5-6-23(9-14(10)15)28(26,27)13-3-1-12(2-4-13)17(19,20)21/h1-7,12-14,29H,8-11H2,(H,26,28);2-7,12,26H,8-11,13-14H2,1H3;1-6,13,23H,7-12,14H2;3-9,25H,10-12H2,1-2H3;3-8,12,25H,1-2,9-11,13H2;1-4,7-8,25H,5-6,9H2,(H,22,24).

What are the key properties of 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone?

8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone has a molecular weight of 2501.49 g/mol, XLogP of 18.70, 27 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-[3-[2-(4-chlorophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-hydroxyethanone;1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;6-fluoro-3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;2-hydroxy-1-[3-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone;2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-3-benzazocin-9-yl]ethanone is sourced from PubChem (CID 160819667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).