1-(4-fluorophenyl)-6-methylsulfonylindazole

C14H11FN2O2S — CID 66967803

IUPAC1-(4-fluorophenyl)-6-methylsulfonylindazole
SMILESCS(=O)(=O)c1ccc2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)13-7-2-10-9-16-17(14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyADSJYWBEPASHOM-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-fluorophenyl)-6-methylsulfonylindazole

1-(4-fluorophenyl)-6-methylsulfonylindazole (PubChem CID 66967803) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methylsulfonylindazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methylsulfonylindazole
PubChem CID66967803
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name1-(4-fluorophenyl)-6-methylsulfonylindazole
SMILESCS(=O)(=O)c1ccc2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)13-7-2-10-9-16-17(14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyADSJYWBEPASHOM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methylsulfonylindazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methylsulfonylindazole (CID 66967803) is 1-(4-fluorophenyl)-6-methylsulfonylindazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methylsulfonylindazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methylsulfonylindazole is CS(=O)(=O)c1ccc2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methylsulfonylindazole?
The InChIKey is ADSJYWBEPASHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-20(18,19)13-7-2-10-9-16-17(14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methylsulfonylindazole?
1-(4-fluorophenyl)-6-methylsulfonylindazole has a molecular weight of 290.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methylsulfonylindazole is sourced from PubChem (CID 66967803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).