2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole

C15H13FN4O2S — CID 2991922

IUPAC2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole
SMILESCS(=O)(=O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H13FN4O2S/c1-23(21,22)13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyZVEADCDFLDOPAV-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole

2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole (PubChem CID 2991922) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole
PubChem CID2991922
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole
SMILESCS(=O)(=O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C15H13FN4O2S/c1-23(21,22)13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKeyZVEADCDFLDOPAV-UHFFFAOYSA-N
XLogP1.93
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[4-(methylsulfonyl)phenyl]-2H-tetrazole
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2-[2-(Benzenesulfonyl)ethyl]-5-(4-chlorophenyl)tetrazole
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2-[2-(Benzenesulfonyl)ethyl]-5-phenyltetrazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole (CID 2991922) is 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole is CS(=O)(=O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole?
The InChIKey is ZVEADCDFLDOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-23(21,22)13-8-6-11(7-9-13)15-17-19-20(18-15)10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole?
2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole has a molecular weight of 332.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)tetrazole is sourced from PubChem (CID 2991922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).