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

C15H14N4O3S — CID 51346951

IUPAC1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,1-2H3
InChIKeyMXUVLAFSNJIUJM-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.74
Rot. Bonds4

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

1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole (PubChem CID 51346951) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole
PubChem CID51346951
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,1-2H3
InChIKeyMXUVLAFSNJIUJM-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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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
5-(3-Methoxyphenyl)-1-(4-methoxyphenyl)tetrazole
CID 649149
5-[2-chloro-4-(methylsulfonyl)phenyl]-1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole
CID 1488278
4-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine
CID 16013763
6-[1-(4-Methoxyphenyl)tetrazol-5-yl]-1,2lambda6-benzoxathiine 2,2-dioxide
CID 76310490
1-(4-tert-butylbenzene-1-sulfonyl)-4-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]piperidine
CID 16013776
5-[(3-Methoxyphenyl)methylsulfonyl]-1-phenyltetrazole
CID 9548435
4-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]-1-[3-(trifluoromethyl)benzene-1-sulfonyl]piperidine
CID 16013772
4-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]-1-(4-propylbenzene-1-sulfonyl)piperidine
CID 16013774
4-[5-(4-Methoxyphenyl)tetrazol-1-yl]benzenesulfonamide
CID 57390392
5-(4-Methoxyphenyl)-1-(4-methylsulfonylphenyl)tetrazole
CID 57393944
4-[5-[(4-Methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol
CID 155528460

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole (CID 51346951) is 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole is COc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole?
The InChIKey is MXUVLAFSNJIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole?
1-(4-methoxyphenyl)-5-(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 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)tetrazole is sourced from PubChem (CID 51346951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).