2-propylpyrazole-3-sulfonyl chloride

C6H9ClN2O2S — CID 63974719

IUPAC2-propylpyrazole-3-sulfonyl chloride
SMILESCCCn1nccc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-5-9-6(3-4-8-9)12(7,10)11/h3-4H,2,5H2,1H3
InChIKeyWNFNBNMOQMUQGU-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.22
Rot. Bonds3

About 2-propylpyrazole-3-sulfonyl chloride

2-propylpyrazole-3-sulfonyl chloride (PubChem CID 63974719) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 2-propylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-propylpyrazole-3-sulfonyl chloride
PubChem CID63974719
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name2-propylpyrazole-3-sulfonyl chloride
SMILESCCCn1nccc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-5-9-6(3-4-8-9)12(7,10)11/h3-4H,2,5H2,1H3
InChIKeyWNFNBNMOQMUQGU-UHFFFAOYSA-N
XLogP1.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylpyrazole-3-sulfonyl chloride?
The IUPAC name of 2-propylpyrazole-3-sulfonyl chloride (CID 63974719) is 2-propylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-propylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-propylpyrazole-3-sulfonyl chloride is CCCn1nccc1S(=O)(=O)Cl.
What is the InChIKey of 2-propylpyrazole-3-sulfonyl chloride?
The InChIKey is WNFNBNMOQMUQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-2-5-9-6(3-4-8-9)12(7,10)11/h3-4H,2,5H2,1H3.
What are the key properties of 2-propylpyrazole-3-sulfonyl chloride?
2-propylpyrazole-3-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 63974719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).