3-methyl-1-methylsulfonylindazole

C9H10N2O2S — CID 46856251

IUPAC3-methyl-1-methylsulfonylindazole
SMILESCc1nn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C9H10N2O2S/c1-7-8-5-3-4-6-9(8)11(10-7)14(2,12)13/h3-6H,1-2H3
InChIKeyISGQSOMQWTYIKA-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.15
Rot. Bonds1

About 3-methyl-1-methylsulfonylindazole

3-methyl-1-methylsulfonylindazole (PubChem CID 46856251) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-methyl-1-methylsulfonylindazole.

Molecular Properties

Compound Name3-methyl-1-methylsulfonylindazole
PubChem CID46856251
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-methyl-1-methylsulfonylindazole
SMILESCc1nn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C9H10N2O2S/c1-7-8-5-3-4-6-9(8)11(10-7)14(2,12)13/h3-6H,1-2H3
InChIKeyISGQSOMQWTYIKA-UHFFFAOYSA-N
XLogP1.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfonylindazole?
The IUPAC name of 3-methyl-1-methylsulfonylindazole (CID 46856251) is 3-methyl-1-methylsulfonylindazole.
What is the SMILES notation for 3-methyl-1-methylsulfonylindazole?
The canonical SMILES for 3-methyl-1-methylsulfonylindazole is Cc1nn(S(C)(=O)=O)c2ccccc12.
What is the InChIKey of 3-methyl-1-methylsulfonylindazole?
The InChIKey is ISGQSOMQWTYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-7-8-5-3-4-6-9(8)11(10-7)14(2,12)13/h3-6H,1-2H3.
What are the key properties of 3-methyl-1-methylsulfonylindazole?
3-methyl-1-methylsulfonylindazole has a molecular weight of 210.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfonylindazole is sourced from PubChem (CID 46856251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).