5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide

C18H14F6N2O2S — CID 22917273

IUPAC5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)C2)cn1
InChIInChI=1S/C18H14F6N2O2S/c19-17(20,21)12-4-1-10(2-5-12)14-7-13(18(22,23)24)8-15(14)11-3-6-16(26-9-11)29(25,27)28/h1-6,9,13H,7-8H2,(H2,25,27,28)
InChIKeyCMCBLSGFEXGDKD-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.63
Rot. Bonds3

About 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide

5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (PubChem CID 22917273) has the molecular formula C18H14F6N2O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
PubChem CID22917273
Molecular FormulaC18H14F6N2O2S
Molecular Weight436.38 g/mol
Exact Mass436.07
IUPAC Name5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)C2)cn1
InChIInChI=1S/C18H14F6N2O2S/c19-17(20,21)12-4-1-10(2-5-12)14-7-13(18(22,23)24)8-15(14)11-3-6-16(26-9-11)29(25,27)28/h1-6,9,13H,7-8H2,(H2,25,27,28)
InChIKeyCMCBLSGFEXGDKD-UHFFFAOYSA-N
XLogP4.63
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (CID 22917273) is 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)C2)cn1.
What is the InChIKey of 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The InChIKey is CMCBLSGFEXGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O2S/c19-17(20,21)12-4-1-10(2-5-12)14-7-13(18(22,23)24)8-15(14)11-3-6-16(26-9-11)29(25,27)28/h1-6,9,13H,7-8H2,(H2,25,27,28).
What are the key properties of 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide has a molecular weight of 436.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 22917273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).