2-(4-methylphenyl)sulfonylindazole

C14H12N2O2S — CID 13170679

IUPAC2-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2cc3ccccc3n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15-16/h2-10H,1H3
InChIKeyVIIZFMZBKLYUOO-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylindazole

2-(4-methylphenyl)sulfonylindazole (PubChem CID 13170679) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylindazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylindazole
PubChem CID13170679
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2cc3ccccc3n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15-16/h2-10H,1H3
InChIKeyVIIZFMZBKLYUOO-UHFFFAOYSA-N
XLogP2.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylindazole?
The IUPAC name of 2-(4-methylphenyl)sulfonylindazole (CID 13170679) is 2-(4-methylphenyl)sulfonylindazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylindazole?
The canonical SMILES for 2-(4-methylphenyl)sulfonylindazole is Cc1ccc(S(=O)(=O)n2cc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylindazole?
The InChIKey is VIIZFMZBKLYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15-16/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylindazole?
2-(4-methylphenyl)sulfonylindazole has a molecular weight of 272.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylindazole is sourced from PubChem (CID 13170679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).