6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

C7H3ClF3N3O2S — CID 84730773

IUPAC6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C7H3ClF3N3O2S/c8-17(15,16)5-2-13-14-3-4(7(9,10)11)1-12-6(5)14/h1-3H
InChIKeySCTNUPXMXYPETL-UHFFFAOYSA-N
MW285.63 g/mol
LogP1.68
Rot. Bonds1

About 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (PubChem CID 84730773) has the molecular formula C7H3ClF3N3O2S and a molecular weight of 285.63 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
PubChem CID84730773
Molecular FormulaC7H3ClF3N3O2S
Molecular Weight285.63 g/mol
Exact Mass284.96
IUPAC Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C7H3ClF3N3O2S/c8-17(15,16)5-2-13-14-3-4(7(9,10)11)1-12-6(5)14/h1-3H
InChIKeySCTNUPXMXYPETL-UHFFFAOYSA-N
XLogP1.68
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (CID 84730773) is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.
What is the SMILES notation for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The canonical SMILES for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The InChIKey is SCTNUPXMXYPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3O2S/c8-17(15,16)5-2-13-14-3-4(7(9,10)11)1-12-6(5)14/h1-3H.
What are the key properties of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride has a molecular weight of 285.63 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is sourced from PubChem (CID 84730773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).