5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole

C10H11FN4O2S — CID 47010946

IUPAC5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole
SMILESCS(=O)(=O)CCn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4O2S/c1-18(16,17)6-5-15-13-10(12-14-15)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3
InChIKeyWGMRGSPACGJMDE-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.52
Rot. Bonds4

About 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole

5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole (PubChem CID 47010946) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole
PubChem CID47010946
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole
SMILESCS(=O)(=O)CCn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4O2S/c1-18(16,17)6-5-15-13-10(12-14-15)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3
InChIKeyWGMRGSPACGJMDE-UHFFFAOYSA-N
XLogP0.52
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole?
The IUPAC name of 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole (CID 47010946) is 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole is CS(=O)(=O)CCn1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole?
The InChIKey is WGMRGSPACGJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-18(16,17)6-5-15-13-10(12-14-15)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole?
5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole has a molecular weight of 270.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole is sourced from PubChem (CID 47010946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).