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

C19H15F5N2O2S — CID 23370647

IUPAC4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(CF)(CF)C=C2c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H15F5N2O2S/c20-10-18(11-21)7-15(12-1-4-14(5-2-12)29(25,27)28)16(8-18)17-6-3-13(9-26-17)19(22,23)24/h1-9H,10-11H2,(H2,25,27,28)
InChIKeyVTTRMDHJLSDGCI-UHFFFAOYSA-N
MW430.40 g/mol
LogP4.15
Rot. Bonds5

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

4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370647) has the molecular formula C19H15F5N2O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370647
Molecular FormulaC19H15F5N2O2S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC Name4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(CF)(CF)C=C2c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H15F5N2O2S/c20-10-18(11-21)7-15(12-1-4-14(5-2-12)29(25,27)28)16(8-18)17-6-3-13(9-26-17)19(22,23)24/h1-9H,10-11H2,(H2,25,27,28)
InChIKeyVTTRMDHJLSDGCI-UHFFFAOYSA-N
XLogP4.15
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 19936927
4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370539
2-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine
CID 23370441
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
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
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917521
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370535
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-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370647) is 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC(CF)(CF)C=C2c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is VTTRMDHJLSDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O2S/c20-10-18(11-21)7-15(12-1-4-14(5-2-12)29(25,27)28)16(8-18)17-6-3-13(9-26-17)19(22,23)24/h1-9H,10-11H2,(H2,25,27,28).
What are the key properties of 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 430.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).