2,5-dimethylpyrazole-3-sulfonyl fluoride

C5H7FN2O2S — CID 165460536

IUPAC2,5-dimethylpyrazole-3-sulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)n(C)n1
InChIInChI=1S/C5H7FN2O2S/c1-4-3-5(8(2)7-4)11(6,9)10/h3H,1-2H3
InChIKeyMQJBMXLSDVHIQP-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.39
Rot. Bonds1

About 2,5-dimethylpyrazole-3-sulfonyl fluoride

2,5-dimethylpyrazole-3-sulfonyl fluoride (PubChem CID 165460536) has the molecular formula C5H7FN2O2S and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,5-dimethylpyrazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name2,5-dimethylpyrazole-3-sulfonyl fluoride
PubChem CID165460536
Molecular FormulaC5H7FN2O2S
Molecular Weight178.19 g/mol
Exact Mass178.02
IUPAC Name2,5-dimethylpyrazole-3-sulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)n(C)n1
InChIInChI=1S/C5H7FN2O2S/c1-4-3-5(8(2)7-4)11(6,9)10/h3H,1-2H3
InChIKeyMQJBMXLSDVHIQP-UHFFFAOYSA-N
XLogP0.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazole-3-sulfonyl fluoride?
The IUPAC name of 2,5-dimethylpyrazole-3-sulfonyl fluoride (CID 165460536) is 2,5-dimethylpyrazole-3-sulfonyl fluoride.
What is the SMILES notation for 2,5-dimethylpyrazole-3-sulfonyl fluoride?
The canonical SMILES for 2,5-dimethylpyrazole-3-sulfonyl fluoride is Cc1cc(S(=O)(=O)F)n(C)n1.
What is the InChIKey of 2,5-dimethylpyrazole-3-sulfonyl fluoride?
The InChIKey is MQJBMXLSDVHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O2S/c1-4-3-5(8(2)7-4)11(6,9)10/h3H,1-2H3.
What are the key properties of 2,5-dimethylpyrazole-3-sulfonyl fluoride?
2,5-dimethylpyrazole-3-sulfonyl fluoride has a molecular weight of 178.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazole-3-sulfonyl fluoride is sourced from PubChem (CID 165460536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).