5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole

C12H10F2N2O2S — CID 174327215

IUPAC5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(CC(F)=Cc1cccc(F)c1)c1ccn[nH]1
InChIInChI=1S/C12H10F2N2O2S/c13-10-3-1-2-9(6-10)7-11(14)8-19(17,18)12-4-5-15-16-12/h1-7H,8H2,(H,15,16)
InChIKeyIAFZXYKEUNRNDH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.33
Rot. Bonds4

About 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole

5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole (PubChem CID 174327215) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
PubChem CID174327215
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(CC(F)=Cc1cccc(F)c1)c1ccn[nH]1
InChIInChI=1S/C12H10F2N2O2S/c13-10-3-1-2-9(6-10)7-11(14)8-19(17,18)12-4-5-15-16-12/h1-7H,8H2,(H,15,16)
InChIKeyIAFZXYKEUNRNDH-UHFFFAOYSA-N
XLogP2.33
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The IUPAC name of 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole (CID 174327215) is 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The canonical SMILES for 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole is O=S(=O)(CC(F)=Cc1cccc(F)c1)c1ccn[nH]1.
What is the InChIKey of 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The InChIKey is IAFZXYKEUNRNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-10-3-1-2-9(6-10)7-11(14)8-19(17,18)12-4-5-15-16-12/h1-7H,8H2,(H,15,16).
What are the key properties of 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole has a molecular weight of 284.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 174327215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).