3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine

C13H11N5O2S — CID 122694064

IUPAC3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c1-21(19,20)11-6-2-5-10(9-4-3-7-14-8-9)12(11)13-15-17-18-16-13/h2-8H,1H3,(H,15,16,17,18)
InChIKeyDPRVDQYQGDRZQO-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.33
Rot. Bonds3

About 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine

3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 122694064) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID122694064
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c1-21(19,20)11-6-2-5-10(9-4-3-7-14-8-9)12(11)13-15-17-18-16-13/h2-8H,1H3,(H,15,16,17,18)
InChIKeyDPRVDQYQGDRZQO-UHFFFAOYSA-N
XLogP1.33
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 122694064) is 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine is CS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is DPRVDQYQGDRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-21(19,20)11-6-2-5-10(9-4-3-7-14-8-9)12(11)13-15-17-18-16-13/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine?
3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 301.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 122694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).