1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride

C6H7ClF2N2O2S — CID 19622862

IUPAC1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O2S/c1-4-5(14(7,12)13)2-11(10-4)3-6(8)9/h2,6H,3H2,1H3
InChIKeyVZDKAUYGTQUEAF-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride

1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride (PubChem CID 19622862) has the molecular formula C6H7ClF2N2O2S and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride
PubChem CID19622862
Molecular FormulaC6H7ClF2N2O2S
Molecular Weight244.65 g/mol
Exact Mass243.99
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O2S/c1-4-5(14(7,12)13)2-11(10-4)3-6(8)9/h2,6H,3H2,1H3
InChIKeyVZDKAUYGTQUEAF-UHFFFAOYSA-N
XLogP1.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.38
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)-3-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride (CID 19622862) is 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride is Cc1nn(CC(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride?
The InChIKey is VZDKAUYGTQUEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O2S/c1-4-5(14(7,12)13)2-11(10-4)3-6(8)9/h2,6H,3H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3-methylpyrazole-4-sulfonyl chloride has a molecular weight of 244.65 g/mol, XLogP of 1.38, 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)-3-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 19622862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).