2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide

C18H16F3NO2S — CID 22747368

IUPAC2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)cc1F
InChIInChI=1S/C18H16F3NO2S/c1-10-5-6-11(7-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyKRTXEZPRHAZODV-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.15
Rot. Bonds3

About 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide

2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22747368) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22747368
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)cc1F
InChIInChI=1S/C18H16F3NO2S/c1-10-5-6-11(7-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyKRTXEZPRHAZODV-UHFFFAOYSA-N
XLogP4.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.15
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-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22746497
4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746101
4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22747318
4-[2-(3-cyano-4-methylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22746882
4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 10616776
4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745839
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
CID 22747285
2,5-difluoro-4-[4-[3-methyl-4-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745443
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

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 22747368) is 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide is Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is KRTXEZPRHAZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-10-5-6-11(7-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24).
What are the key properties of 2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide?
2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 4.15, 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-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22747368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).