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

C21H23F3N2O2S — CID 22917365

IUPAC5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESCCC1(CC)CC(c2ccc(C(F)(F)F)cc2)=C(c2ccc(S(N)(=O)=O)nc2)C1
InChIInChI=1S/C21H23F3N2O2S/c1-3-20(4-2)11-17(14-5-8-16(9-6-14)21(22,23)24)18(12-20)15-7-10-19(26-13-15)29(25,27)28/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,27,28)
InChIKeyROTXICHKDNDRHQ-UHFFFAOYSA-N
MW424.49 g/mol
LogP5.26
Rot. Bonds5

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

5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (PubChem CID 22917365) has the molecular formula C21H23F3N2O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
PubChem CID22917365
Molecular FormulaC21H23F3N2O2S
Molecular Weight424.49 g/mol
Exact Mass424.14
IUPAC Name5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESCCC1(CC)CC(c2ccc(C(F)(F)F)cc2)=C(c2ccc(S(N)(=O)=O)nc2)C1
InChIInChI=1S/C21H23F3N2O2S/c1-3-20(4-2)11-17(14-5-8-16(9-6-14)21(22,23)24)18(12-20)15-7-10-19(26-13-15)29(25,27)28/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,27,28)
InChIKeyROTXICHKDNDRHQ-UHFFFAOYSA-N
XLogP5.26
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (CID 22917365) is 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is CCC1(CC)CC(c2ccc(C(F)(F)F)cc2)=C(c2ccc(S(N)(=O)=O)nc2)C1.
What is the InChIKey of 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The InChIKey is ROTXICHKDNDRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2S/c1-3-20(4-2)11-17(14-5-8-16(9-6-14)21(22,23)24)18(12-20)15-7-10-19(26-13-15)29(25,27)28/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,27,28).
What are the key properties of 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide has a molecular weight of 424.49 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,4-diethyl-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 22917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).