5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole

C14H10F2N2O3S — CID 2805870

IUPAC5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole
SMILESCS(=O)(=O)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C14H10F2N2O3S/c1-22(19,20)18-12(6-7-17-18)14-5-4-13(21-14)10-3-2-9(15)8-11(10)16/h2-8H,1H3
InChIKeyMWZTVVRRGYNIJF-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.90
Rot. Bonds3

About 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole

5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole (PubChem CID 2805870) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole
PubChem CID2805870
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole
SMILESCS(=O)(=O)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C14H10F2N2O3S/c1-22(19,20)18-12(6-7-17-18)14-5-4-13(21-14)10-3-2-9(15)8-11(10)16/h2-8H,1H3
InChIKeyMWZTVVRRGYNIJF-UHFFFAOYSA-N
XLogP2.90
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole?
The IUPAC name of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole (CID 2805870) is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole is CS(=O)(=O)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole?
The InChIKey is MWZTVVRRGYNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c1-22(19,20)18-12(6-7-17-18)14-5-4-13(21-14)10-3-2-9(15)8-11(10)16/h2-8H,1H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole?
5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole has a molecular weight of 324.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole is sourced from PubChem (CID 2805870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).