4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

C17H12ClF2NO5S — CID 22746994

IUPAC4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)ccc1Cl
InChIInChI=1S/C17H12ClF2NO5S/c1-25-14-4-8(2-3-11(14)18)16-10(7-26-17(16)22)9-5-13(20)15(6-12(9)19)27(21,23)24/h2-6H,7H2,1H3,(H2,21,23,24)
InChIKeyXRZZEKJHEUSMML-UHFFFAOYSA-N
MW415.80 g/mol
LogP2.74
Rot. Bonds4

About 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746994) has the molecular formula C17H12ClF2NO5S and a molecular weight of 415.80 g/mol. Its IUPAC name is 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746994
Molecular FormulaC17H12ClF2NO5S
Molecular Weight415.80 g/mol
Exact Mass415.01
IUPAC Name4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)ccc1Cl
InChIInChI=1S/C17H12ClF2NO5S/c1-25-14-4-8(2-3-11(14)18)16-10(7-26-17(16)22)9-5-13(20)15(6-12(9)19)27(21,23)24/h2-6H,7H2,1H3,(H2,21,23,24)
InChIKeyXRZZEKJHEUSMML-UHFFFAOYSA-N
XLogP2.74
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (CID 22746994) is 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is COc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)ccc1Cl.
What is the InChIKey of 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is XRZZEKJHEUSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2NO5S/c1-25-14-4-8(2-3-11(14)18)16-10(7-26-17(16)22)9-5-13(20)15(6-12(9)19)27(21,23)24/h2-6H,7H2,1H3,(H2,21,23,24).
What are the key properties of 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 415.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).