5-bromo-3-methylsulfonyl-2H-indazole

C8H7BrN2O2S — CID 54229595

IUPAC5-bromo-3-methylsulfonyl-2H-indazole
SMILESCS(=O)(=O)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyQIHKDXICUWGQBR-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.73
Rot. Bonds1

About 5-bromo-3-methylsulfonyl-2H-indazole

5-bromo-3-methylsulfonyl-2H-indazole (PubChem CID 54229595) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 5-bromo-3-methylsulfonyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-methylsulfonyl-2H-indazole
PubChem CID54229595
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name5-bromo-3-methylsulfonyl-2H-indazole
SMILESCS(=O)(=O)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyQIHKDXICUWGQBR-UHFFFAOYSA-N
XLogP1.73
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylsulfonyl-2H-indazole?
The IUPAC name of 5-bromo-3-methylsulfonyl-2H-indazole (CID 54229595) is 5-bromo-3-methylsulfonyl-2H-indazole.
What is the SMILES notation for 5-bromo-3-methylsulfonyl-2H-indazole?
The canonical SMILES for 5-bromo-3-methylsulfonyl-2H-indazole is CS(=O)(=O)c1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methylsulfonyl-2H-indazole?
The InChIKey is QIHKDXICUWGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-14(12,13)8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-3-methylsulfonyl-2H-indazole?
5-bromo-3-methylsulfonyl-2H-indazole has a molecular weight of 275.13 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylsulfonyl-2H-indazole is sourced from PubChem (CID 54229595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).