3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride

C6H7ClF2N2O3S — CID 118164775

IUPAC3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(OC(F)F)n1
InChIInChI=1S/C6H7ClF2N2O3S/c1-2-11-3-4(15(7,12)13)5(10-11)14-6(8)9/h3,6H,2H2,1H3
InChIKeyBYENDKXQESOBDK-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.43
Rot. Bonds4

About 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride

3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride (PubChem CID 118164775) has the molecular formula C6H7ClF2N2O3S and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride
PubChem CID118164775
Molecular FormulaC6H7ClF2N2O3S
Molecular Weight260.65 g/mol
Exact Mass259.98
IUPAC Name3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(OC(F)F)n1
InChIInChI=1S/C6H7ClF2N2O3S/c1-2-11-3-4(15(7,12)13)5(10-11)14-6(8)9/h3,6H,2H2,1H3
InChIKeyBYENDKXQESOBDK-UHFFFAOYSA-N
XLogP1.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.43
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
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
6,6-Difluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 163198525
1-(2,2-Difluoroethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 125482154
3-(2,2-Difluoroethoxy)-1-ethyl-pyrazole-4-sulfonyl chloride
CID 125482172
3-methoxy-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 165754660
6-Fluoro-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-sulfonyl chloride
CID 172639129
5-Methoxy-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 84781376
5-Isopropoxy-1-methyl-1h-pyrazole-4-sulfonyl chloride
CID 98463885
3-Ethoxy-1-ethyl-pyrazole-4-sulfonyl chloride
CID 118163435

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride (CID 118164775) is 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)c(OC(F)F)n1.
What is the InChIKey of 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is BYENDKXQESOBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O3S/c1-2-11-3-4(15(7,12)13)5(10-11)14-6(8)9/h3,6H,2H2,1H3.
What are the key properties of 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride?
3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 260.65 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 118164775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).