3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride

C7H10ClFN2O3S — CID 123761594

IUPAC3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
SMILESCCOc1nn(C(C)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClFN2O3S/c1-3-14-7-6(15(8,12)13)4-11(10-7)5(2)9/h4-5H,3H2,1-2H3
InChIKeyJWZHXMRPGCDINQ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.70
Rot. Bonds4

About 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride

3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride (PubChem CID 123761594) has the molecular formula C7H10ClFN2O3S and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
PubChem CID123761594
Molecular FormulaC7H10ClFN2O3S
Molecular Weight256.69 g/mol
Exact Mass256.01
IUPAC Name3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
SMILESCCOc1nn(C(C)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClFN2O3S/c1-3-14-7-6(15(8,12)13)4-11(10-7)5(2)9/h4-5H,3H2,1-2H3
InChIKeyJWZHXMRPGCDINQ-UHFFFAOYSA-N
XLogP1.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.70
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
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740
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
6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 169713253

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride (CID 123761594) is 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride is CCOc1nn(C(C)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is JWZHXMRPGCDINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O3S/c1-3-14-7-6(15(8,12)13)4-11(10-7)5(2)9/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride?
3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 256.69 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 123761594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).