1-(4-fluorophenyl)sulfonylpyrazole

C9H7FN2O2S — CID 4657111

IUPAC1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C9H7FN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H
InChIKeyTYZGOFSXDBLNNK-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylpyrazole

1-(4-fluorophenyl)sulfonylpyrazole (PubChem CID 4657111) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrazole
PubChem CID4657111
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Name1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C9H7FN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H
InChIKeyTYZGOFSXDBLNNK-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)sulfonyl]-1H-pyrazole
CID 896241
1-Tosylpyrozole
CID 320750
4-Bromo-1-(phenylsulfonyl)pyrazole
CID 6468394
4-chloro-1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 1225527
1-Benzenesulfonylpyrazole
CID 588934
1-((2-Bromophenyl)sulfonyl)-1H-pyrazole
CID 26370015
4-chloro-1-[(3,4-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6467817
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207461
1-((4-Bromophenyl)sulfonyl)-1H-pyrazole
CID 844586
3-methyl-1-(phenylsulfonyl)-1H-pyrazole
CID 2992104
2-fluoro-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 43532703

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrazole (CID 4657111) is 1-(4-fluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)cc1)n1cccn1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrazole?
The InChIKey is TYZGOFSXDBLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H.
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrazole?
1-(4-fluorophenyl)sulfonylpyrazole has a molecular weight of 226.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 4657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).