2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine

C13H11N5O2S — CID 122694190

IUPAC2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyCTPJVVNDRVJCTE-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.33
Rot. Bonds3

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

2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694190) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694190
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyCTPJVVNDRVJCTE-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

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Related Compounds

3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
CID 118265917
CID 118265917
CID 118266072
CID 118266072
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
3-(5-Methylpyridin-2-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide, TFA Salt
CID 118256950
3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265336
3-(1H-tetrazol-5-yl)-[4,4''-bipyridine]-2-sulfonamide
CID 118265339
3-(2-pyridin-3-ylethyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118265354
4-[cyclohexyl(methyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266065
4-[(2-cyclohexylethyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266120
3-(4-methylpyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266134
3-(6-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266182

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine (CID 122694190) is 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine is CS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is CTPJVVNDRVJCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine?
2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)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 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).