1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride

C5H5ClF2N2O2S — CID 155821840

IUPAC1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccn(CC(F)F)n1
InChIInChI=1S/C5H5ClF2N2O2S/c6-13(11,12)5-1-2-10(9-5)3-4(7)8/h1-2,4H,3H2
InChIKeyBCRMXNDAFYTRFB-UHFFFAOYSA-N
MW230.62 g/mol
LogP1.08
Rot. Bonds3

About 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride

1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride (PubChem CID 155821840) has the molecular formula C5H5ClF2N2O2S and a molecular weight of 230.62 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride
PubChem CID155821840
Molecular FormulaC5H5ClF2N2O2S
Molecular Weight230.62 g/mol
Exact Mass229.97
IUPAC Name1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccn(CC(F)F)n1
InChIInChI=1S/C5H5ClF2N2O2S/c6-13(11,12)5-1-2-10(9-5)3-4(7)8/h1-2,4H,3H2
InChIKeyBCRMXNDAFYTRFB-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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Related Compounds

1-Methyl-1H-pyrazole-3-sulfonyl chloride
CID 13474466
1-methyl-1H-pyrazole-3-sulfonamide
CID 14835643
1-ethyl-1H-pyrazole-5-sulfonyl chloride
CID 18981633
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622855
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622857
1-methyl-1H-pyrazole-5-sulfonamide
CID 22420731
1-Methyl-1H-pyrazole-5-sulfonyl chloride
CID 22472621
1-(propan-2-yl)-1H-pyrazole-5-sulfonyl chloride
CID 45923687
1-ethyl-1H-pyrazole-3-sulfonyl chloride
CID 66509456
1H-Pyrazole-3-sulfonyl chloride, 1-(1-methylethyl)-
CID 66509457
1H-Pyrazole-3-sulfonyl chloride, 1-(2,2,2-trifluoroethyl)-
CID 66509474
1-(methoxymethyl)-1H-pyrazole-5-sulfonyl chloride
CID 75481045

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride (CID 155821840) is 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride?
The InChIKey is BCRMXNDAFYTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2O2S/c6-13(11,12)5-1-2-10(9-5)3-4(7)8/h1-2,4H,3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrazole-3-sulfonyl chloride?
1-(2,2-difluoroethyl)pyrazole-3-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-3-sulfonyl chloride is sourced from PubChem (CID 155821840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).