7-methylsulfonyl-1H-indazole

C8H8N2O2S — CID 175715509

IUPAC7-methylsulfonyl-1H-indazole
SMILESCS(=O)(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C8H8N2O2S/c1-13(11,12)7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChIKeyPFOUPICPQZEDOU-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.97
Rot. Bonds1

About 7-methylsulfonyl-1H-indazole

7-methylsulfonyl-1H-indazole (PubChem CID 175715509) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-methylsulfonyl-1H-indazole.

Molecular Properties

Compound Name7-methylsulfonyl-1H-indazole
PubChem CID175715509
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name7-methylsulfonyl-1H-indazole
SMILESCS(=O)(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C8H8N2O2S/c1-13(11,12)7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChIKeyPFOUPICPQZEDOU-UHFFFAOYSA-N
XLogP0.97
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-1H-indazole?
The IUPAC name of 7-methylsulfonyl-1H-indazole (CID 175715509) is 7-methylsulfonyl-1H-indazole.
What is the SMILES notation for 7-methylsulfonyl-1H-indazole?
The canonical SMILES for 7-methylsulfonyl-1H-indazole is CS(=O)(=O)c1cccc2cn[nH]c12.
What is the InChIKey of 7-methylsulfonyl-1H-indazole?
The InChIKey is PFOUPICPQZEDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-13(11,12)7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10).
What are the key properties of 7-methylsulfonyl-1H-indazole?
7-methylsulfonyl-1H-indazole has a molecular weight of 196.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-1H-indazole is sourced from PubChem (CID 175715509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).