3-(4-fluorophenyl)-1-methylsulfonylindazole

C14H11FN2O2S — CID 175711300

IUPAC3-(4-fluorophenyl)-1-methylsulfonylindazole
SMILESCS(=O)(=O)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyQQXKVYDKARZCOW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.65
Rot. Bonds2

About 3-(4-fluorophenyl)-1-methylsulfonylindazole

3-(4-fluorophenyl)-1-methylsulfonylindazole (PubChem CID 175711300) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methylsulfonylindazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methylsulfonylindazole
PubChem CID175711300
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name3-(4-fluorophenyl)-1-methylsulfonylindazole
SMILESCS(=O)(=O)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyQQXKVYDKARZCOW-UHFFFAOYSA-N
XLogP2.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-methylsulfonylindazole 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 3-(4-fluorophenyl)-1-methylsulfonylindazole?
The IUPAC name of 3-(4-fluorophenyl)-1-methylsulfonylindazole (CID 175711300) is 3-(4-fluorophenyl)-1-methylsulfonylindazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methylsulfonylindazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-methylsulfonylindazole is CS(=O)(=O)n1nc(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-methylsulfonylindazole?
The InChIKey is QQXKVYDKARZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-20(18,19)17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methylsulfonylindazole?
3-(4-fluorophenyl)-1-methylsulfonylindazole has a molecular weight of 290.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methylsulfonylindazole is sourced from PubChem (CID 175711300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).