5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole

C15H14N4O3S — CID 57393944

IUPAC5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-7-3-11(4-8-13)15-16-17-18-19(15)12-5-9-14(10-6-12)23(2,20)21/h3-10H,1-2H3
InChIKeyQNHOMNCDDVPXNW-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.74
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole

5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole (PubChem CID 57393944) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole
PubChem CID57393944
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-7-3-11(4-8-13)15-16-17-18-19(15)12-5-9-14(10-6-12)23(2,20)21/h3-10H,1-2H3
InChIKeyQNHOMNCDDVPXNW-UHFFFAOYSA-N
XLogP1.74
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole (CID 57393944) is 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole is COc1ccc(-c2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The InChIKey is QNHOMNCDDVPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-22-13-7-3-11(4-8-13)15-16-17-18-19(15)12-5-9-14(10-6-12)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole?
5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole has a molecular weight of 330.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole is sourced from PubChem (CID 57393944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).