1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride

C8H10ClFN2O2S — CID 84737839

IUPAC1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC(F)C2)c1
InChIInChI=1S/C8H10ClFN2O2S/c9-15(13,14)8-4-11-12(5-8)7-2-1-6(10)3-7/h4-7H,1-3H2
InChIKeyKEBQYZKIWDOJOV-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.87
Rot. Bonds2

About 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride

1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride (PubChem CID 84737839) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride
PubChem CID84737839
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC(F)C2)c1
InChIInChI=1S/C8H10ClFN2O2S/c9-15(13,14)8-4-11-12(5-8)7-2-1-6(10)3-7/h4-7H,1-3H2
InChIKeyKEBQYZKIWDOJOV-UHFFFAOYSA-N
XLogP1.87
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride (CID 84737839) is 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCC(F)C2)c1.
What is the InChIKey of 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride?
The InChIKey is KEBQYZKIWDOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c9-15(13,14)8-4-11-12(5-8)7-2-1-6(10)3-7/h4-7H,1-3H2.
What are the key properties of 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride?
1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride has a molecular weight of 252.70 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclopentyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 84737839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).