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

C7H9ClF2N2O3S — CID 125482154

IUPAC1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride
SMILESCCOc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-15-7-5(16(8,13)14)3-12(11-7)4-6(9)10/h3,6H,2,4H2,1H3
InChIKeyQCJBDPGBHQWVIN-UHFFFAOYSA-N
MW274.68 g/mol
LogP1.47
Rot. Bonds5

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

1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride (PubChem CID 125482154) has the molecular formula C7H9ClF2N2O3S and a molecular weight of 274.68 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride
PubChem CID125482154
Molecular FormulaC7H9ClF2N2O3S
Molecular Weight274.68 g/mol
Exact Mass274.00
IUPAC Name1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride
SMILESCCOc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-15-7-5(16(8,13)14)3-12(11-7)4-6(9)10/h3,6H,2,4H2,1H3
InChIKeyQCJBDPGBHQWVIN-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 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride (CID 125482154) is 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride is CCOc1nn(CC(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride?
The InChIKey is QCJBDPGBHQWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O3S/c1-2-15-7-5(16(8,13)14)3-12(11-7)4-6(9)10/h3,6H,2,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3-ethoxypyrazole-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 1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride is sourced from PubChem (CID 125482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).