4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol

C8H8N4O3S — CID 122694218

IUPAC4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol
SMILESCS(=O)(=O)c1ccc(O)cc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4O3S/c1-16(14,15)7-3-2-5(13)4-6(7)8-9-11-12-10-8/h2-4,13H,1H3,(H,9,10,11,12)
InChIKeyVXZFKQIZEZAGCA-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.02
Rot. Bonds2

About 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol

4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol (PubChem CID 122694218) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol
PubChem CID122694218
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol
SMILESCS(=O)(=O)c1ccc(O)cc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4O3S/c1-16(14,15)7-3-2-5(13)4-6(7)8-9-11-12-10-8/h2-4,13H,1H3,(H,9,10,11,12)
InChIKeyVXZFKQIZEZAGCA-UHFFFAOYSA-N
XLogP-0.02
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol (CID 122694218) is 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol is CS(=O)(=O)c1ccc(O)cc1-c1nn[nH]n1.
What is the InChIKey of 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol?
The InChIKey is VXZFKQIZEZAGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-16(14,15)7-3-2-5(13)4-6(7)8-9-11-12-10-8/h2-4,13H,1H3,(H,9,10,11,12).
What are the key properties of 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol?
4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol has a molecular weight of 240.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-3-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 122694218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).