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

C19H10F4N2O3S — CID 2805865

IUPAC5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C19H10F4N2O3S/c20-11-1-3-13(14(22)9-11)17-4-5-18(28-17)16-7-8-24-25(16)29(26,27)19-6-2-12(21)10-15(19)23/h1-10H
InChIKeyDWGJINNJBIYXAY-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.60
Rot. Bonds4

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

5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole (PubChem CID 2805865) has the molecular formula C19H10F4N2O3S and a molecular weight of 422.36 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
PubChem CID2805865
Molecular FormulaC19H10F4N2O3S
Molecular Weight422.36 g/mol
Exact Mass422.03
IUPAC Name5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C19H10F4N2O3S/c20-11-1-3-13(14(22)9-11)17-4-5-18(28-17)16-7-8-24-25(16)29(26,27)19-6-2-12(21)10-15(19)23/h1-10H
InChIKeyDWGJINNJBIYXAY-UHFFFAOYSA-N
XLogP4.60
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.60
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-(2,4-difluorophenyl)sulfonylpyrazole?
The IUPAC name of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole (CID 2805865) is 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)cc1F)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole?
The InChIKey is DWGJINNJBIYXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O3S/c20-11-1-3-13(14(22)9-11)17-4-5-18(28-17)16-7-8-24-25(16)29(26,27)19-6-2-12(21)10-15(19)23/h1-10H.
What are the key properties of 5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole?
5-[5-(2,4-difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole has a molecular weight of 422.36 g/mol, XLogP of 4.60, 4 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-(2,4-difluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 2805865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).