pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

C6H4ClN3O2S — CID 71669036

IUPACpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2cccnc12
InChIInChI=1S/C6H4ClN3O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H
InChIKeyVXCMOFRNEHXSSS-UHFFFAOYSA-N
MW217.64 g/mol
LogP0.66
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (PubChem CID 71669036) has the molecular formula C6H4ClN3O2S and a molecular weight of 217.64 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
PubChem CID71669036
Molecular FormulaC6H4ClN3O2S
Molecular Weight217.64 g/mol
Exact Mass216.97
IUPAC Namepyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2cccnc12
InChIInChI=1S/C6H4ClN3O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H
InChIKeyVXCMOFRNEHXSSS-UHFFFAOYSA-N
XLogP0.66
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrazolo[1,5-a]pyrimidine-3-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 pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (CID 71669036) is pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnn2cccnc12.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The InChIKey is VXCMOFRNEHXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H.
What are the key properties of pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride has a molecular weight of 217.64 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is sourced from PubChem (CID 71669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).