1-cyclobutylpyrazole-4-sulfonyl chloride

C7H9ClN2O2S — CID 98464559

IUPAC1-cyclobutylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC2)c1
InChIInChI=1S/C7H9ClN2O2S/c8-13(11,12)7-4-9-10(5-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyMLDUUKSSKFCFRB-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.54
Rot. Bonds2

About 1-cyclobutylpyrazole-4-sulfonyl chloride

1-cyclobutylpyrazole-4-sulfonyl chloride (PubChem CID 98464559) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-cyclobutylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclobutylpyrazole-4-sulfonyl chloride
PubChem CID98464559
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-cyclobutylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC2)c1
InChIInChI=1S/C7H9ClN2O2S/c8-13(11,12)7-4-9-10(5-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyMLDUUKSSKFCFRB-UHFFFAOYSA-N
XLogP1.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-cyclobutylpyrazole-4-sulfonyl chloride (CID 98464559) is 1-cyclobutylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-cyclobutylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-cyclobutylpyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrazole-4-sulfonyl chloride?
The InChIKey is MLDUUKSSKFCFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-4-9-10(5-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 1-cyclobutylpyrazole-4-sulfonyl chloride?
1-cyclobutylpyrazole-4-sulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 98464559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).