1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole

C15H11F3N4O2S — CID 57393945

IUPAC1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)13-8-6-12(7-9-13)22-14(19-20-21-22)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3
InChIKeyLQUFPDKZSGCLHK-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole

1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 57393945) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID57393945
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)13-8-6-12(7-9-13)22-14(19-20-21-22)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3
InChIKeyLQUFPDKZSGCLHK-UHFFFAOYSA-N
XLogP2.75
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole (CID 57393945) is 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole is CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is LQUFPDKZSGCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-25(23,24)13-8-6-12(7-9-13)22-14(19-20-21-22)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole?
1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 368.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 57393945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).