1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride

C8H10ClFN2O2S — CID 115047011

IUPAC1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCCC2)c1F
InChIInChI=1S/C8H10ClFN2O2S/c9-15(13,14)7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyPXVQRDYBTQAAHH-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.06
Rot. Bonds2

About 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride

1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride (PubChem CID 115047011) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride
PubChem CID115047011
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCCC2)c1F
InChIInChI=1S/C8H10ClFN2O2S/c9-15(13,14)7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyPXVQRDYBTQAAHH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride?
The IUPAC name of 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride (CID 115047011) is 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCCC2)c1F.
What is the InChIKey of 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride?
The InChIKey is PXVQRDYBTQAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c9-15(13,14)7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride?
1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride has a molecular weight of 252.70 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115047011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).