2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide

C17H10F5NO4S — CID 22745488

IUPAC2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10F5NO4S/c18-12-6-14(28(23,25)26)13(19)5-10(12)11-7-27-16(24)15(11)8-1-3-9(4-2-8)17(20,21)22/h1-6H,7H2,(H2,23,25,26)
InChIKeyPRCVHHKJFGXIJA-UHFFFAOYSA-N
MW419.33 g/mol
LogP3.10
Rot. Bonds3

About 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide

2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide (PubChem CID 22745488) has the molecular formula C17H10F5NO4S and a molecular weight of 419.33 g/mol. Its IUPAC name is 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
PubChem CID22745488
Molecular FormulaC17H10F5NO4S
Molecular Weight419.33 g/mol
Exact Mass419.03
IUPAC Name2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10F5NO4S/c18-12-6-14(28(23,25)26)13(19)5-10(12)11-7-27-16(24)15(11)8-1-3-9(4-2-8)17(20,21)22/h1-6H,7H2,(H2,23,25,26)
InChIKeyPRCVHHKJFGXIJA-UHFFFAOYSA-N
XLogP3.10
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide (CID 22745488) is 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide is NS(=O)(=O)c1cc(F)c(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is PRCVHHKJFGXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5NO4S/c18-12-6-14(28(23,25)26)13(19)5-10(12)11-7-27-16(24)15(11)8-1-3-9(4-2-8)17(20,21)22/h1-6H,7H2,(H2,23,25,26).
What are the key properties of 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide?
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide has a molecular weight of 419.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 22745488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).