1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole

C64H57F7N8O6S5 — CID 158088004

IUPAC1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1
InChIInChI=1S/C23H19F3N2O2S2.C22H19FN2O2S2.C19H19F3N4O2S/c1-27-10-8-15(9-11-27)19-14-28(20-7-6-17(13-18(19)20)23(24,25)26)32(29,30)22-12-16-4-2-3-5-21(16)31-22;1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22;1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h2-8,12-14H,9-11H2,1H3;2-8,12-14H,9-11H2,1H3;3-7,11-12H,8-10H2,1-2H3
InChIKeyFNTBQNJXXSBXKC-UHFFFAOYSA-N
MW1327.53 g/mol
LogP14.13
Rot. Bonds9

About 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole

1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (PubChem CID 158088004) has the molecular formula C64H57F7N8O6S5 and a molecular weight of 1327.53 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
PubChem CID158088004
Molecular FormulaC64H57F7N8O6S5
Molecular Weight1327.53 g/mol
Exact Mass1326.29
IUPAC Name1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1
InChIInChI=1S/C23H19F3N2O2S2.C22H19FN2O2S2.C19H19F3N4O2S/c1-27-10-8-15(9-11-27)19-14-28(20-7-6-17(13-18(19)20)23(24,25)26)32(29,30)22-12-16-4-2-3-5-21(16)31-22;1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22;1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h2-8,12-14H,9-11H2,1H3;2-8,12-14H,9-11H2,1H3;3-7,11-12H,8-10H2,1-2H3
InChIKeyFNTBQNJXXSBXKC-UHFFFAOYSA-N
XLogP14.13
TPSA144.75 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001327.53
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole with MolForge

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Related Compounds

1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-thiophen-3-ylindole
CID 141171235
1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-5-pyridin-3-ylindole
CID 141171239
5-Fluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylindole
CID 141171244
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
CID 157251156
bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzothiophen-3-id-4-yl)quinoline);tris(iridium(3+));bis(4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide);tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157767617
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 157780412
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 157814439
4-[5-[2-(dimethylamino)-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;2-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-fluoro-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[3-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158063848
1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 158266996
3-[5-[[5-(2-Sulfamoylphenyl)-2,3-dihydroindol-1-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide;3-[5-[[5-(2-sulfamoylphenyl)indol-1-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 158404603
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
CID 158477195
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpyrrolo[2,3-b]pyridine;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
CID 158587919

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole (CID 158088004) is 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole.
What is the SMILES notation for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The canonical SMILES for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)nc3C(F)(F)F)c3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
The InChIKey is FNTBQNJXXSBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2S2.C22H19FN2O2S2.C19H19F3N4O2S/c1-27-10-8-15(9-11-27)19-14-28(20-7-6-17(13-18(19)20)23(24,25)26)32(29,30)22-12-16-4-2-3-5-21(16)31-22;1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22;1-24-9-7-13(8-10-24)15-11-26(16-6-4-3-5-14(15)16)29(27,28)17-12-25(2)23-18(17)19(20,21)22/h2-8,12-14H,9-11H2,1H3;2-8,12-14H,9-11H2,1H3;3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole?
1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole has a molecular weight of 1327.53 g/mol, XLogP of 14.13, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole is sourced from PubChem (CID 158088004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).