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

C17H13F5N2O2S — CID 22917492

IUPAC4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cn3)CC(F)(F)C2)cc1
InChIInChI=1S/C17H13F5N2O2S/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/h1-6,9H,7-8H2,(H2,23,25,26)
InChIKeyGMEPBUXNJSYEMI-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.09
Rot. Bonds3

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

4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917492) has the molecular formula C17H13F5N2O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917492
Molecular FormulaC17H13F5N2O2S
Molecular Weight404.36 g/mol
Exact Mass404.06
IUPAC Name4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cn3)CC(F)(F)C2)cc1
InChIInChI=1S/C17H13F5N2O2S/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/h1-6,9H,7-8H2,(H2,23,25,26)
InChIKeyGMEPBUXNJSYEMI-UHFFFAOYSA-N
XLogP4.09
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,4-difluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-5-(trifluoromethyl)pyridine
CID 22917293
4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370539
4-[3,3-bis(fluoromethyl)-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370647
4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 19936927
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917521
4-[6-[6-(trifluoromethyl)-3-pyridinyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933800
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712
4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
CID 18933691
6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
CID 22917458
2-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine
CID 23370441
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917492) is 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cn3)CC(F)(F)C2)cc1.
What is the InChIKey of 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is GMEPBUXNJSYEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2S/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/h1-6,9H,7-8H2,(H2,23,25,26).
What are the key properties of 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 404.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).