5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C6H4ClFN4O2S — CID 19833545

IUPAC5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2nc(CF)ccn2n1
InChIInChI=1S/C6H4ClFN4O2S/c7-15(13,14)6-10-5-9-4(3-8)1-2-12(5)11-6/h1-2H,3H2
InChIKeyFGFBYLGGFCOQJI-UHFFFAOYSA-N
MW250.64 g/mol
LogP0.52
Rot. Bonds2

About 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 19833545) has the molecular formula C6H4ClFN4O2S and a molecular weight of 250.64 g/mol. Its IUPAC name is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID19833545
Molecular FormulaC6H4ClFN4O2S
Molecular Weight250.64 g/mol
Exact Mass249.97
IUPAC Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2nc(CF)ccn2n1
InChIInChI=1S/C6H4ClFN4O2S/c7-15(13,14)6-10-5-9-4(3-8)1-2-12(5)11-6/h1-2H,3H2
InChIKeyFGFBYLGGFCOQJI-UHFFFAOYSA-N
XLogP0.52
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
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-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 19833545) is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc2nc(CF)ccn2n1.
What is the InChIKey of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is FGFBYLGGFCOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN4O2S/c7-15(13,14)6-10-5-9-4(3-8)1-2-12(5)11-6/h1-2H,3H2.
What are the key properties of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 250.64 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 19833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).