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

C14H11FN4O2S — CID 57400903

IUPAC5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyIMMTZWSVDJMOQK-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.87
Rot. Bonds3

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

5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole (PubChem CID 57400903) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole
PubChem CID57400903
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyIMMTZWSVDJMOQK-UHFFFAOYSA-N
XLogP1.87
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole (CID 57400903) is 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole is CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole?
The InChIKey is IMMTZWSVDJMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole?
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole has a molecular weight of 318.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole is sourced from PubChem (CID 57400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).