1-(methylsulfonylmethyl)-3-phenylindazole

C15H14N2O2S — CID 118569068

IUPAC1-(methylsulfonylmethyl)-3-phenylindazole
SMILESCS(=O)(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)11-17-14-10-6-5-9-13(14)15(16-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBJCOVIJKZNXXFK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.71
Rot. Bonds3

About 1-(methylsulfonylmethyl)-3-phenylindazole

1-(methylsulfonylmethyl)-3-phenylindazole (PubChem CID 118569068) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)-3-phenylindazole.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)-3-phenylindazole
PubChem CID118569068
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(methylsulfonylmethyl)-3-phenylindazole
SMILESCS(=O)(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)11-17-14-10-6-5-9-13(14)15(16-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBJCOVIJKZNXXFK-UHFFFAOYSA-N
XLogP2.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethyl)-3-phenylindazole?
The IUPAC name of 1-(methylsulfonylmethyl)-3-phenylindazole (CID 118569068) is 1-(methylsulfonylmethyl)-3-phenylindazole.
What is the SMILES notation for 1-(methylsulfonylmethyl)-3-phenylindazole?
The canonical SMILES for 1-(methylsulfonylmethyl)-3-phenylindazole is CS(=O)(=O)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(methylsulfonylmethyl)-3-phenylindazole?
The InChIKey is BJCOVIJKZNXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-20(18,19)11-17-14-10-6-5-9-13(14)15(16-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-(methylsulfonylmethyl)-3-phenylindazole?
1-(methylsulfonylmethyl)-3-phenylindazole has a molecular weight of 286.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)-3-phenylindazole is sourced from PubChem (CID 118569068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).