5-(4-methylsulfonylphenyl)-2H-tetrazole

C8H8N4O2S — CID 655148

IUPAC5-(4-methylsulfonylphenyl)-2H-tetrazole
SMILESCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyQNQGKDWSIRANDF-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.27
Rot. Bonds2

About 5-(4-methylsulfonylphenyl)-2H-tetrazole

5-(4-methylsulfonylphenyl)-2H-tetrazole (PubChem CID 655148) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2H-tetrazole
PubChem CID655148
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name5-(4-methylsulfonylphenyl)-2H-tetrazole
SMILESCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyQNQGKDWSIRANDF-UHFFFAOYSA-N
XLogP0.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2H-tetrazole (CID 655148) is 5-(4-methylsulfonylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2H-tetrazole is CS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2H-tetrazole?
The InChIKey is QNQGKDWSIRANDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-(4-methylsulfonylphenyl)-2H-tetrazole?
5-(4-methylsulfonylphenyl)-2H-tetrazole has a molecular weight of 224.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2H-tetrazole is sourced from PubChem (CID 655148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).