3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride

C7H11ClN2O3S — CID 118163435

IUPAC3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCOc1nn(CC)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O3S/c1-3-10-5-6(14(8,11)12)7(9-10)13-4-2/h5H,3-4H2,1-2H3
InChIKeyUZWBEZFPBKYGCZ-UHFFFAOYSA-N
MW238.70 g/mol
LogP1.23
Rot. Bonds4

About 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride

3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride (PubChem CID 118163435) has the molecular formula C7H11ClN2O3S and a molecular weight of 238.70 g/mol. Its IUPAC name is 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride
PubChem CID118163435
Molecular FormulaC7H11ClN2O3S
Molecular Weight238.70 g/mol
Exact Mass238.02
IUPAC Name3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCOc1nn(CC)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O3S/c1-3-10-5-6(14(8,11)12)7(9-10)13-4-2/h5H,3-4H2,1-2H3
InChIKeyUZWBEZFPBKYGCZ-UHFFFAOYSA-N
XLogP1.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 51.23
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
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonic acid
CID 168073358
1-(2,2-Difluoroethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 125482154
3-(2,2-Difluoroethoxy)-1-ethyl-pyrazole-4-sulfonyl chloride
CID 125482172

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride (CID 118163435) is 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride is CCOc1nn(CC)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is UZWBEZFPBKYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3S/c1-3-10-5-6(14(8,11)12)7(9-10)13-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride?
3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 238.70 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 118163435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).