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

C6H3Cl2FN4O2S — CID 14623472

IUPAC7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2nc(CF)cc(Cl)n2n1
InChIInChI=1S/C6H3Cl2FN4O2S/c7-4-1-3(2-9)10-5-11-6(12-13(4)5)16(8,14)15/h1H,2H2
InChIKeyHJLYJEMJSNYJLJ-UHFFFAOYSA-N
MW285.09 g/mol
LogP1.17
Rot. Bonds2

About 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 14623472) has the molecular formula C6H3Cl2FN4O2S and a molecular weight of 285.09 g/mol. Its IUPAC name is 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID14623472
Molecular FormulaC6H3Cl2FN4O2S
Molecular Weight285.09 g/mol
Exact Mass283.93
IUPAC Name7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2nc(CF)cc(Cl)n2n1
InChIInChI=1S/C6H3Cl2FN4O2S/c7-4-1-3(2-9)10-5-11-6(12-13(4)5)16(8,14)15/h1H,2H2
InChIKeyHJLYJEMJSNYJLJ-UHFFFAOYSA-N
XLogP1.17
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 14623472) is 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc2nc(CF)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is HJLYJEMJSNYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FN4O2S/c7-4-1-3(2-9)10-5-11-6(12-13(4)5)16(8,14)15/h1H,2H2.
What are the key properties of 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 285.09 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 14623472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).