2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine

C74H65F19N6O9S3 — CID 162189457

IUPAC2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
SMILESCS(=O)(=O)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21
InChIInChI=1S/C27H22F8N2O3S.C26H22F6N2O3S.C21H21F5N2O3S/c28-20-7-8-23-18(9-10-36-14-17-3-1-5-21(11-17)40-16-26(31,32)25(29)30)15-37(24(23)13-20)41(38,39)22-6-2-4-19(12-22)27(33,34)35;27-19-4-2-6-22(12-19)38(35,36)34-15-18(23-8-7-20(28)13-24(23)34)9-10-33-14-17-3-1-5-21(11-17)37-16-26(31,32)25(29)30;1-32(29,30)28-12-15(18-6-5-16(22)10-19(18)28)7-8-27-11-14-3-2-4-17(9-14)31-13-21(25,26)20(23)24/h1-8,11-13,15,25,36H,9-10,14,16H2;1-8,11-13,15,25,33H,9-10,14,16H2;2-6,9-10,12,20,27H,7-8,11,13H2,1H3
InChIKeyZQCJJIZSQNKWRG-UHFFFAOYSA-N
MW1639.53 g/mol
LogP16.62
Rot. Bonds32

About 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine

2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine (PubChem CID 162189457) has the molecular formula C74H65F19N6O9S3 and a molecular weight of 1639.53 g/mol. Its IUPAC name is 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
PubChem CID162189457
Molecular FormulaC74H65F19N6O9S3
Molecular Weight1639.53 g/mol
Exact Mass1638.37
IUPAC Name2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
SMILESCS(=O)(=O)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21
InChIInChI=1S/C27H22F8N2O3S.C26H22F6N2O3S.C21H21F5N2O3S/c28-20-7-8-23-18(9-10-36-14-17-3-1-5-21(11-17)40-16-26(31,32)25(29)30)15-37(24(23)13-20)41(38,39)22-6-2-4-19(12-22)27(33,34)35;27-19-4-2-6-22(12-19)38(35,36)34-15-18(23-8-7-20(28)13-24(23)34)9-10-33-14-17-3-1-5-21(11-17)37-16-26(31,32)25(29)30;1-32(29,30)28-12-15(18-6-5-16(22)10-19(18)28)7-8-27-11-14-3-2-4-17(9-14)31-13-21(25,26)20(23)24/h1-8,11-13,15,25,36H,9-10,14,16H2;1-8,11-13,15,25,33H,9-10,14,16H2;2-6,9-10,12,20,27H,7-8,11,13H2,1H3
InChIKeyZQCJJIZSQNKWRG-UHFFFAOYSA-N
XLogP16.62
TPSA180.99 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.53
LogP ≤ 516.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine (CID 162189457) is 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine is CS(=O)(=O)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.O=S(=O)(c1cccc(F)c1)n1cc(CCNCc2cccc(OCC(F)(F)C(F)F)c2)c2ccc(F)cc21.
What is the InChIKey of 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The InChIKey is ZQCJJIZSQNKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F8N2O3S.C26H22F6N2O3S.C21H21F5N2O3S/c28-20-7-8-23-18(9-10-36-14-17-3-1-5-21(11-17)40-16-26(31,32)25(29)30)15-37(24(23)13-20)41(38,39)22-6-2-4-19(12-22)27(33,34)35;27-19-4-2-6-22(12-19)38(35,36)34-15-18(23-8-7-20(28)13-24(23)34)9-10-33-14-17-3-1-5-21(11-17)37-16-26(31,32)25(29)30;1-32(29,30)28-12-15(18-6-5-16(22)10-19(18)28)7-8-27-11-14-3-2-4-17(9-14)31-13-21(25,26)20(23)24/h1-8,11-13,15,25,36H,9-10,14,16H2;1-8,11-13,15,25,33H,9-10,14,16H2;2-6,9-10,12,20,27H,7-8,11,13H2,1H3.
What are the key properties of 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine has a molecular weight of 1639.53 g/mol, XLogP of 16.62, 32 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 162189457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).