5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C16H14F5NO3S — CID 162383346

IUPAC5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESCS(=O)(=O)c1cccc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)c1
InChIInChI=1S/C16H14F5NO3S/c1-26(24,25)10-4-2-3-9(7-10)22-8-11(16(19,20)21)13-12(22)5-6-15(17,18)14(13)23/h2-4,7-8,14,23H,5-6H2,1H3
InChIKeyLTJININOLSNABD-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.51
Rot. Bonds2

About 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383346) has the molecular formula C16H14F5NO3S and a molecular weight of 395.35 g/mol. Its IUPAC name is 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383346
Molecular FormulaC16H14F5NO3S
Molecular Weight395.35 g/mol
Exact Mass395.06
IUPAC Name5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESCS(=O)(=O)c1cccc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)c1
InChIInChI=1S/C16H14F5NO3S/c1-26(24,25)10-4-2-3-9(7-10)22-8-11(16(19,20)21)13-12(22)5-6-15(17,18)14(13)23/h2-4,7-8,14,23H,5-6H2,1H3
InChIKeyLTJININOLSNABD-UHFFFAOYSA-N
XLogP3.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383346) is 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is CS(=O)(=O)c1cccc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)c1.
What is the InChIKey of 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is LTJININOLSNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5NO3S/c1-26(24,25)10-4-2-3-9(7-10)22-8-11(16(19,20)21)13-12(22)5-6-15(17,18)14(13)23/h2-4,7-8,14,23H,5-6H2,1H3.
What are the key properties of 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 395.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).