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

C20H14F2N2O4S — CID 5081150

IUPAC5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nccc2-c2ccc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C20H14F2N2O4S/c1-27-14-3-5-15(6-4-14)29(25,26)24-18(10-11-23-24)20-9-8-19(28-20)16-7-2-13(21)12-17(16)22/h2-12H,1H3
InChIKeyRWNORXLODMPUJT-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.33
Rot. Bonds5

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

5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole (PubChem CID 5081150) has the molecular formula C20H14F2N2O4S and a molecular weight of 416.41 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole
PubChem CID5081150
Molecular FormulaC20H14F2N2O4S
Molecular Weight416.41 g/mol
Exact Mass416.06
IUPAC Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nccc2-c2ccc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C20H14F2N2O4S/c1-27-14-3-5-15(6-4-14)29(25,26)24-18(10-11-23-24)20-9-8-19(28-20)16-7-2-13(21)12-17(16)22/h2-12H,1H3
InChIKeyRWNORXLODMPUJT-UHFFFAOYSA-N
XLogP4.33
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole?
The IUPAC name of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole (CID 5081150) is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole is COc1ccc(S(=O)(=O)n2nccc2-c2ccc(-c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole?
The InChIKey is RWNORXLODMPUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O4S/c1-27-14-3-5-15(6-4-14)29(25,26)24-18(10-11-23-24)20-9-8-19(28-20)16-7-2-13(21)12-17(16)22/h2-12H,1H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole?
5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole has a molecular weight of 416.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 5081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).