1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole

C26H24F3NO2S — CID 173181513

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole
SMILESCC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C26H24F3NO2S/c1-25(2)16-30(33(31,32)22-12-8-17-4-3-5-19(17)14-22)24-13-9-20(15-23(24)25)18-6-10-21(11-7-18)26(27,28)29/h6-15H,3-5,16H2,1-2H3
InChIKeyVLZVXINTTODKSO-UHFFFAOYSA-N
MW471.54 g/mol
LogP6.35
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole (PubChem CID 173181513) has the molecular formula C26H24F3NO2S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole
PubChem CID173181513
Molecular FormulaC26H24F3NO2S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole
SMILESCC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C26H24F3NO2S/c1-25(2)16-30(33(31,32)22-12-8-17-4-3-5-19(17)14-22)24-13-9-20(15-23(24)25)18-6-10-21(11-7-18)26(27,28)29/h6-15H,3-5,16H2,1-2H3
InChIKeyVLZVXINTTODKSO-UHFFFAOYSA-N
XLogP6.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole with MolForge

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Related Compounds

[(2,3,5,6-Tetramethylphenyl)sulfonyl]indoline
CID 2359298
2-Methyl-1-((2,3,5,6-tetramethylphenyl)sulfonyl)indoline
CID 5172204
2-[2-(4-tert-butylphenyl)ethyl]-N-(4-fluorophenyl)-1,3-dihydroisoindole-5-sulfonamide
CID 118074247
2,8-dimethyl-5-[3-(trifluoromethyl)phenyl]sulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16303417
(6aR,11bR)-6a-fluoro-7,7-dimethyl-5-(4-methylphenyl)sulfonyl-6,11b-dihydroindeno[2,1-c]quinoline
CID 72545215
(3aS,8bR)-8b-fluoro-4-methyl-3-(4-methylphenyl)sulfonyl-7-(2,4,6-trimethylphenyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 101958253
2,2-Difluoro-5-methyl-3-methylidene-1-(4-methylphenyl)sulfonylindole
CID 134954754
2,2-Difluoro-1-methylidene-3-(4-methylphenyl)sulfonylbenzo[e]indole
CID 134954757
(2R,3R)-2-[difluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindole
CID 134960627
5-Methyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole
CID 135031007
4,6-Dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole
CID 135031009
3-[Fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154713489

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole (CID 173181513) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole is CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole?
The InChIKey is VLZVXINTTODKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO2S/c1-25(2)16-30(33(31,32)22-12-8-17-4-3-5-19(17)14-22)24-13-9-20(15-23(24)25)18-6-10-21(11-7-18)26(27,28)29/h6-15H,3-5,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole has a molecular weight of 471.54 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-indole is sourced from PubChem (CID 173181513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).