2-cyclopentylpyrazole-3-sulfonyl chloride

C8H11ClN2O2S — CID 50896655

IUPAC2-cyclopentylpyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC1
InChIInChI=1S/C8H11ClN2O2S/c9-14(12,13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyVLHIGJZUQAGHLT-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.93
Rot. Bonds2

About 2-cyclopentylpyrazole-3-sulfonyl chloride

2-cyclopentylpyrazole-3-sulfonyl chloride (PubChem CID 50896655) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-cyclopentylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopentylpyrazole-3-sulfonyl chloride
PubChem CID50896655
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-cyclopentylpyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC1
InChIInChI=1S/C8H11ClN2O2S/c9-14(12,13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyVLHIGJZUQAGHLT-UHFFFAOYSA-N
XLogP1.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpyrazole-3-sulfonyl chloride?
The IUPAC name of 2-cyclopentylpyrazole-3-sulfonyl chloride (CID 50896655) is 2-cyclopentylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-cyclopentylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-cyclopentylpyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentylpyrazole-3-sulfonyl chloride?
The InChIKey is VLHIGJZUQAGHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-14(12,13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-cyclopentylpyrazole-3-sulfonyl chloride?
2-cyclopentylpyrazole-3-sulfonyl chloride has a molecular weight of 234.71 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 50896655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).