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

C7H9ClF2N2O2S — CID 164664680

IUPAC1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O2S/c1-2-5-6(15(8,13)14)3-12(11-5)4-7(9)10/h3,7H,2,4H2,1H3
InChIKeyAMKKAKAHWJVSQK-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.64
Rot. Bonds4

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

1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride (PubChem CID 164664680) has the molecular formula C7H9ClF2N2O2S and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride
PubChem CID164664680
Molecular FormulaC7H9ClF2N2O2S
Molecular Weight258.68 g/mol
Exact Mass258.00
IUPAC Name1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O2S/c1-2-5-6(15(8,13)14)3-12(11-5)4-7(9)10/h3,7H,2,4H2,1H3
InChIKeyAMKKAKAHWJVSQK-UHFFFAOYSA-N
XLogP1.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808
4H,5H,6H-Pyrrolo[1,2-B]pyrazole-3-sulfonyl chloride
CID 55279479
1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 84031236
3-cyclopropyl-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 117764486

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride (CID 164664680) is 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride is CCc1nn(CC(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is AMKKAKAHWJVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O2S/c1-2-5-6(15(8,13)14)3-12(11-5)4-7(9)10/h3,7H,2,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 258.68 g/mol, XLogP of 1.64, 4 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-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 164664680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).