1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride

C8H11FN2O3S — CID 154832115

IUPAC1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H11FN2O3S/c9-15(12,13)8-5-10-11(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2
InChIKeyUOEBNDJKFPZVIT-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.89
Rot. Bonds2

About 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride

1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride (PubChem CID 154832115) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride
PubChem CID154832115
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H11FN2O3S/c9-15(12,13)8-5-10-11(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2
InChIKeyUOEBNDJKFPZVIT-UHFFFAOYSA-N
XLogP0.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride?
The IUPAC name of 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride (CID 154832115) is 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride?
The canonical SMILES for 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride is O=S(=O)(F)c1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride?
The InChIKey is UOEBNDJKFPZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c9-15(12,13)8-5-10-11(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2.
What are the key properties of 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride?
1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride has a molecular weight of 234.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 154832115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).