5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride

C6H8ClFN2O2S — CID 112756776

IUPAC5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride
SMILESCC(C)n1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H8ClFN2O2S/c1-4(2)10-6(8)5(3-9-10)13(7,11)12/h3-4H,1-2H3
InChIKeyHSXKZAOXPJMEIQ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.53
Rot. Bonds2

About 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride

5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride (PubChem CID 112756776) has the molecular formula C6H8ClFN2O2S and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride
PubChem CID112756776
Molecular FormulaC6H8ClFN2O2S
Molecular Weight226.66 g/mol
Exact Mass226.00
IUPAC Name5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride
SMILESCC(C)n1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H8ClFN2O2S/c1-4(2)10-6(8)5(3-9-10)13(7,11)12/h3-4H,1-2H3
InChIKeyHSXKZAOXPJMEIQ-UHFFFAOYSA-N
XLogP1.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.53
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
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-5-sulfonyl chloride
CID 45923687
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
1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonyl chloride
CID 60911764

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride (CID 112756776) is 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride is CC(C)n1ncc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride?
The InChIKey is HSXKZAOXPJMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2O2S/c1-4(2)10-6(8)5(3-9-10)13(7,11)12/h3-4H,1-2H3.
What are the key properties of 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride?
5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride has a molecular weight of 226.66 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 112756776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).