5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole

C10H11FN2O2S — CID 123278139

IUPAC5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole
SMILESCn1nc(CS(C)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C10H11FN2O2S/c1-13-10-4-3-7(11)5-8(10)9(12-13)6-16(2,14)15/h3-5H,6H2,1-2H3
InChIKeyALAPAUYIDSJVBL-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.26
Rot. Bonds2

About 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole

5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole (PubChem CID 123278139) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole
PubChem CID123278139
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole
SMILESCn1nc(CS(C)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C10H11FN2O2S/c1-13-10-4-3-7(11)5-8(10)9(12-13)6-16(2,14)15/h3-5H,6H2,1-2H3
InChIKeyALAPAUYIDSJVBL-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole?
The IUPAC name of 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole (CID 123278139) is 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole.
What is the SMILES notation for 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole?
The canonical SMILES for 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole is Cn1nc(CS(C)(=O)=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole?
The InChIKey is ALAPAUYIDSJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-13-10-4-3-7(11)5-8(10)9(12-13)6-16(2,14)15/h3-5H,6H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole?
5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole has a molecular weight of 242.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole is sourced from PubChem (CID 123278139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).