4-chloro-1-propylpyrazole-5-sulfonyl fluoride

C6H8ClFN2O2S — CID 165453373

IUPAC4-chloro-1-propylpyrazole-5-sulfonyl fluoride
SMILESCCCn1ncc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C6H8ClFN2O2S/c1-2-3-10-6(13(8,11)12)5(7)4-9-10/h4H,2-3H2,1H3
InChIKeyCCYXKVICNQCGGA-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-1-propylpyrazole-5-sulfonyl fluoride

4-chloro-1-propylpyrazole-5-sulfonyl fluoride (PubChem CID 165453373) has the molecular formula C6H8ClFN2O2S and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-chloro-1-propylpyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-1-propylpyrazole-5-sulfonyl fluoride
PubChem CID165453373
Molecular FormulaC6H8ClFN2O2S
Molecular Weight226.66 g/mol
Exact Mass226.00
IUPAC Name4-chloro-1-propylpyrazole-5-sulfonyl fluoride
SMILESCCCn1ncc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C6H8ClFN2O2S/c1-2-3-10-6(13(8,11)12)5(7)4-9-10/h4H,2-3H2,1H3
InChIKeyCCYXKVICNQCGGA-UHFFFAOYSA-N
XLogP1.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propylpyrazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-1-propylpyrazole-5-sulfonyl fluoride (CID 165453373) is 4-chloro-1-propylpyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-1-propylpyrazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-1-propylpyrazole-5-sulfonyl fluoride is CCCn1ncc(Cl)c1S(=O)(=O)F.
What is the InChIKey of 4-chloro-1-propylpyrazole-5-sulfonyl fluoride?
The InChIKey is CCYXKVICNQCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2O2S/c1-2-3-10-6(13(8,11)12)5(7)4-9-10/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-1-propylpyrazole-5-sulfonyl fluoride?
4-chloro-1-propylpyrazole-5-sulfonyl fluoride has a molecular weight of 226.66 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propylpyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 165453373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).