1-ethyl-5-fluoropyrazole-4-sulfonyl chloride

C5H6ClFN2O2S — CID 115028114

IUPAC1-ethyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESCCn1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C5H6ClFN2O2S/c1-2-9-5(7)4(3-8-9)12(6,10)11/h3H,2H2,1H3
InChIKeyLZDZVRXOUZAYNY-UHFFFAOYSA-N
MW212.63 g/mol
LogP0.97
Rot. Bonds2

About 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride

1-ethyl-5-fluoropyrazole-4-sulfonyl chloride (PubChem CID 115028114) has the molecular formula C5H6ClFN2O2S and a molecular weight of 212.63 g/mol. Its IUPAC name is 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-fluoropyrazole-4-sulfonyl chloride
PubChem CID115028114
Molecular FormulaC5H6ClFN2O2S
Molecular Weight212.63 g/mol
Exact Mass211.98
IUPAC Name1-ethyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESCCn1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C5H6ClFN2O2S/c1-2-9-5(7)4(3-8-9)12(6,10)11/h3H,2H2,1H3
InChIKeyLZDZVRXOUZAYNY-UHFFFAOYSA-N
XLogP0.97
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H-pyrazole-4-sulfonamide
CID 13342789
1-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485337
3-Chloro-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 13630087
5-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 15008915
1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024730
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-Propyl-1H-pyrazole-4-sulfonyl chloride
CID 19576718
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622855
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622857
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54595051
4-methanesulfonyl-1-methyl-1H-pyrazole
CID 57587962
sodium 1-methyl-1H-pyrazole-4-sulfinate
CID 57744901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride?
The IUPAC name of 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride (CID 115028114) is 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride is CCn1ncc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride?
The InChIKey is LZDZVRXOUZAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2O2S/c1-2-9-5(7)4(3-8-9)12(6,10)11/h3H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride?
1-ethyl-5-fluoropyrazole-4-sulfonyl chloride has a molecular weight of 212.63 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoropyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115028114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).