1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride

C5H5ClF2N2O2S — CID 19622857

IUPAC1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(CC(F)F)c1
InChIInChI=1S/C5H5ClF2N2O2S/c6-13(11,12)4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChIKeyCRQMKTOAMCCPJH-UHFFFAOYSA-N
MW230.62 g/mol
LogP1.08
Rot. Bonds3

About 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride

1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride (PubChem CID 19622857) has the molecular formula C5H5ClF2N2O2S and a molecular weight of 230.62 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride
PubChem CID19622857
Molecular FormulaC5H5ClF2N2O2S
Molecular Weight230.62 g/mol
Exact Mass229.97
IUPAC Name1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(CC(F)F)c1
InChIInChI=1S/C5H5ClF2N2O2S/c6-13(11,12)4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChIKeyCRQMKTOAMCCPJH-UHFFFAOYSA-N
XLogP1.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride (CID 19622857) is 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is CRQMKTOAMCCPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2O2S/c6-13(11,12)4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 230.62 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 19622857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).