3-(4-methylsulfonylphenyl)-1H-indazole

C14H12N2O2S — CID 72895811

IUPAC3-(4-methylsulfonylphenyl)-1H-indazole
SMILESCS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyMYVDOUXQVCOGNM-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-methylsulfonylphenyl)-1H-indazole

3-(4-methylsulfonylphenyl)-1H-indazole (PubChem CID 72895811) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-1H-indazole
PubChem CID72895811
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(4-methylsulfonylphenyl)-1H-indazole
SMILESCS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyMYVDOUXQVCOGNM-UHFFFAOYSA-N
XLogP2.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-1H-indazole?
The IUPAC name of 3-(4-methylsulfonylphenyl)-1H-indazole (CID 72895811) is 3-(4-methylsulfonylphenyl)-1H-indazole.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-1H-indazole?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-1H-indazole is CS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-1H-indazole?
The InChIKey is MYVDOUXQVCOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-19(17,18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 3-(4-methylsulfonylphenyl)-1H-indazole?
3-(4-methylsulfonylphenyl)-1H-indazole has a molecular weight of 272.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-1H-indazole is sourced from PubChem (CID 72895811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).