4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C17H11F5N2O2S — CID 23370539

IUPAC4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H11F5N2O2S/c18-16(19)7-13(10-1-4-12(5-2-10)27(23,25)26)14(8-16)15-6-3-11(9-24-15)17(20,21)22/h1-9H,(H2,23,25,26)
InChIKeyCVUCHDMYLBQWHK-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.86
Rot. Bonds3

About 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370539) has the molecular formula C17H11F5N2O2S and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370539
Molecular FormulaC17H11F5N2O2S
Molecular Weight402.34 g/mol
Exact Mass402.05
IUPAC Name4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H11F5N2O2S/c18-16(19)7-13(10-1-4-12(5-2-10)27(23,25)26)14(8-16)15-6-3-11(9-24-15)17(20,21)22/h1-9H,(H2,23,25,26)
InChIKeyCVUCHDMYLBQWHK-UHFFFAOYSA-N
XLogP3.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370647
2-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine
CID 23370441
4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 19936927
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370535
4-[3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370457
4-[5-(5-fluoro-2-pyridinyl)-3,3-dimethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370430
dimethyl 3-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopenta-2,4-diene-1,1-dicarboxylate
CID 23370571
2-[3,3-difluoro-5-(4-fluorophenyl)cyclopenta-1,4-dien-1-yl]-5-methylsulfonylpyridine
CID 23370662
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
4-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
2-[4,4-difluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-5-(trifluoromethyl)pyridine
CID 22917293

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370539) is 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is CVUCHDMYLBQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2S/c18-16(19)7-13(10-1-4-12(5-2-10)27(23,25)26)14(8-16)15-6-3-11(9-24-15)17(20,21)22/h1-9H,(H2,23,25,26).
What are the key properties of 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 402.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).