2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide

C17H10F5NO5S — CID 22747367

IUPAC2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3ccc(OC(F)(F)F)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10F5NO5S/c18-12-5-9(6-13(19)15(12)29(23,25)26)11-7-27-16(24)14(11)8-1-3-10(4-2-8)28-17(20,21)22/h1-6H,7H2,(H2,23,25,26)
InChIKeyITXBYZMWOMYQOA-UHFFFAOYSA-N
MW435.33 g/mol
LogP2.98
Rot. Bonds4

About 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide

2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide (PubChem CID 22747367) has the molecular formula C17H10F5NO5S and a molecular weight of 435.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
PubChem CID22747367
Molecular FormulaC17H10F5NO5S
Molecular Weight435.33 g/mol
Exact Mass435.02
IUPAC Name2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3ccc(OC(F)(F)F)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10F5NO5S/c18-12-5-9(6-13(19)15(12)29(23,25)26)11-7-27-16(24)14(11)8-1-3-10(4-2-8)28-17(20,21)22/h1-6H,7H2,(H2,23,25,26)
InChIKeyITXBYZMWOMYQOA-UHFFFAOYSA-N
XLogP2.98
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide (CID 22747367) is 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide is NS(=O)(=O)c1c(F)cc(C2=C(c3ccc(OC(F)(F)F)cc3)C(=O)OC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is ITXBYZMWOMYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5NO5S/c18-12-5-9(6-13(19)15(12)29(23,25)26)11-7-27-16(24)14(11)8-1-3-10(4-2-8)28-17(20,21)22/h1-6H,7H2,(H2,23,25,26).
What are the key properties of 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide?
2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide has a molecular weight of 435.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 22747367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).