7-methylsulfonyl-1H-indazole

C₈H₈N₂O₂S — CID 175715509

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 Name: 7-methylsulfonyl-1H-indazole
• PubChem CID: 175715509
• Molecular Formula: C₈H₈N₂O₂S
• Molecular Weight: 196.23 g/mol
• Exact Mass: 196.03
• IUPAC Name: 7-methylsulfonyl-1H-indazole
• SMILES: CS(=O)(=O)c1cccc2cn[nH]c12
• InChI: InChI=1S/C8H8N2O2S/c1-13(11,12)7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
• InChIKey: PFOUPICPQZEDOU-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 62.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.23
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 175715509 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.