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

C14H13N5O2S — CID 122694234

IUPAC4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
SMILESCc1ccccc1-c1ccnc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O2S/c1-9-5-3-4-6-10(9)11-7-8-15-14(22(2,20)21)12(11)13-16-18-19-17-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyBDACDWOWTBLLOW-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.64
Rot. Bonds3

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

4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694234) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694234
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
SMILESCc1ccccc1-c1ccnc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O2S/c1-9-5-3-4-6-10(9)11-7-8-15-14(22(2,20)21)12(11)13-16-18-19-17-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyBDACDWOWTBLLOW-UHFFFAOYSA-N
XLogP1.64
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2-Methylbenzyl)thio)-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 663009
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-((6-amino-4-methylpyridin-3-yl)methyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256973
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
3-(pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266088
3-(4-methylpyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266134

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine (CID 122694234) is 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine is Cc1ccccc1-c1ccnc(S(C)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is BDACDWOWTBLLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-9-5-3-4-6-10(9)11-7-8-15-14(22(2,20)21)12(11)13-16-18-19-17-13/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine?
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 315.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).