4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide

C20H19F3N2O2S — CID 18933691

IUPAC4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)nc3)CC3(CCC3)C2)cc1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)18-7-4-14(12-25-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)28(24,26)27/h2-7,12H,1,8-11H2,(H2,24,26,27)
InChIKeyPYQFIFNAGPKXBL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.62
Rot. Bonds3

About 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide

4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide (PubChem CID 18933691) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
PubChem CID18933691
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)nc3)CC3(CCC3)C2)cc1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)18-7-4-14(12-25-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)28(24,26)27/h2-7,12H,1,8-11H2,(H2,24,26,27)
InChIKeyPYQFIFNAGPKXBL-UHFFFAOYSA-N
XLogP4.62
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-[6-(trifluoromethyl)-3-pyridinyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933800
4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094
4-[6-[4-chloro-3-(trifluoromethyl)phenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933850
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
2-methylsulfanyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933915
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
4-[6-(4-chloro-3-fluorophenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18934050
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917521
4-[3-(hydroxymethyl)-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370522
7-(4-methylsulfonylphenyl)-6-phenylspiro[3.4]oct-6-ene
CID 18933961

Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide?
The IUPAC name of 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide (CID 18933691) is 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide?
The canonical SMILES for 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)nc3)CC3(CCC3)C2)cc1.
What is the InChIKey of 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide?
The InChIKey is PYQFIFNAGPKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c21-20(22,23)18-7-4-14(12-25-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)28(24,26)27/h2-7,12H,1,8-11H2,(H2,24,26,27).
What are the key properties of 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide?
4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide is sourced from PubChem (CID 18933691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).