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

C7H9ClF2N2O3S — CID 125482172

IUPAC3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(OCC(F)F)n1
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-12-3-5(16(8,13)14)7(11-12)15-4-6(9)10/h3,6H,2,4H2,1H3
InChIKeySZWPLWHNEFASPG-UHFFFAOYSA-N
MW274.68 g/mol
LogP1.47
Rot. Bonds5

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

3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride (PubChem CID 125482172) has the molecular formula C7H9ClF2N2O3S and a molecular weight of 274.68 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride
PubChem CID125482172
Molecular FormulaC7H9ClF2N2O3S
Molecular Weight274.68 g/mol
Exact Mass274.00
IUPAC Name3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(OCC(F)F)n1
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-12-3-5(16(8,13)14)7(11-12)15-4-6(9)10/h3,6H,2,4H2,1H3
InChIKeySZWPLWHNEFASPG-UHFFFAOYSA-N
XLogP1.47
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 84687958
5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonamide
CID 119031861
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 131598270
3-(Difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride
CID 118164775
1-(Difluoromethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 118164794
1-(Difluoromethyl)-3-ethoxypyrazole-4-sulfonic acid
CID 118165054
3-Ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
CID 123761594
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
6,6-Difluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 163198525
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 165369872
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonic acid
CID 168073358
3-(Aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750985

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride (CID 125482172) is 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)c(OCC(F)F)n1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is SZWPLWHNEFASPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O3S/c1-2-12-3-5(16(8,13)14)7(11-12)15-4-6(9)10/h3,6H,2,4H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 274.68 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 125482172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).