4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole

C19H20F3NO2S — CID 135031009

IUPAC4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3cc(C)cc(C)c3CC2CC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2S/c1-12-4-6-16(7-5-12)26(24,25)23-15(11-19(20,21)22)10-17-14(3)8-13(2)9-18(17)23/h4-9,15H,10-11H2,1-3H3
InChIKeyXKNFKZLSVKTYDT-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.68
Rot. Bonds3

About 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole

4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole (PubChem CID 135031009) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole
PubChem CID135031009
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3cc(C)cc(C)c3CC2CC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2S/c1-12-4-6-16(7-5-12)26(24,25)23-15(11-19(20,21)22)10-17-14(3)8-13(2)9-18(17)23/h4-9,15H,10-11H2,1-3H3
InChIKeyXKNFKZLSVKTYDT-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The IUPAC name of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole (CID 135031009) is 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole.
What is the SMILES notation for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The canonical SMILES for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2c3cc(C)cc(C)c3CC2CC(F)(F)F)cc1.
What is the InChIKey of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The InChIKey is XKNFKZLSVKTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c1-12-4-6-16(7-5-12)26(24,25)23-15(11-19(20,21)22)10-17-14(3)8-13(2)9-18(17)23/h4-9,15H,10-11H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole has a molecular weight of 383.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole is sourced from PubChem (CID 135031009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).