1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride

C7H8ClFN2O2S — CID 115042899

IUPAC1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC2)c1F
InChIInChI=1S/C7H8ClFN2O2S/c8-14(12,13)6-4-10-11(7(6)9)5-2-1-3-5/h4-5H,1-3H2
InChIKeySPIVJTZLPLXUMX-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.67
Rot. Bonds2

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

1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride (PubChem CID 115042899) has the molecular formula C7H8ClFN2O2S and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride
PubChem CID115042899
Molecular FormulaC7H8ClFN2O2S
Molecular Weight238.67 g/mol
Exact Mass238.00
IUPAC Name1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCC2)c1F
InChIInChI=1S/C7H8ClFN2O2S/c8-14(12,13)6-4-10-11(7(6)9)5-2-1-3-5/h4-5H,1-3H2
InChIKeySPIVJTZLPLXUMX-UHFFFAOYSA-N
XLogP1.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride?
The IUPAC name of 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride (CID 115042899) is 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCC2)c1F.
What is the InChIKey of 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride?
The InChIKey is SPIVJTZLPLXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O2S/c8-14(12,13)6-4-10-11(7(6)9)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride?
1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115042899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).