1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C15H15F3N2O2S — CID 24826949

IUPAC1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3
InChIKeySGSAAAWPHVGDBX-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 24826949) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID24826949
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3
InChIKeySGSAAAWPHVGDBX-UHFFFAOYSA-N
XLogP3.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole 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 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 24826949) is 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is SGSAAAWPHVGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 344.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 24826949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).