2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide

C17H14F3NO2S — CID 22746497

IUPAC2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(F)cc3)CCC2)cc1F
InChIInChI=1S/C17H14F3NO2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23)
InChIKeyVBCKUDLIFVTWLC-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.85
Rot. Bonds3

About 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide

2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22746497) has the molecular formula C17H14F3NO2S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22746497
Molecular FormulaC17H14F3NO2S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(F)cc3)CCC2)cc1F
InChIInChI=1S/C17H14F3NO2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23)
InChIKeyVBCKUDLIFVTWLC-UHFFFAOYSA-N
XLogP3.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22747368
4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746101
4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 10616776
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22745488
2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
CID 22746653
4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746089
1,3,5-trifluoro-2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917374
2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
CID 22746702
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917706
4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746994
4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745839

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide (CID 22746497) is 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1cc(F)c(C2=C(c3ccc(F)cc3)CCC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is VBCKUDLIFVTWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23).
What are the key properties of 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 353.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22746497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).