4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide

C19H17FN2O2S — CID 54366326

IUPAC4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCC23C=CC(c2ccc(F)nc2)=C3)cc1
InChIInChI=1S/C19H17FN2O2S/c20-18-6-3-15(12-22-18)14-7-9-19(11-14)10-8-17(19)13-1-4-16(5-2-13)25(21,23)24/h1-7,9,11-12,17H,8,10H2,(H2,21,23,24)
InChIKeyUQAWAWAACCJKFC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.39
Rot. Bonds3

About 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide

4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide (PubChem CID 54366326) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide
PubChem CID54366326
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCC23C=CC(c2ccc(F)nc2)=C3)cc1
InChIInChI=1S/C19H17FN2O2S/c20-18-6-3-15(12-22-18)14-7-9-19(11-14)10-8-17(19)13-1-4-16(5-2-13)25(21,23)24/h1-7,9,11-12,17H,8,10H2,(H2,21,23,24)
InChIKeyUQAWAWAACCJKFC-UHFFFAOYSA-N
XLogP3.39
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-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-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907465
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370535
4-[6-[6-(trifluoromethyl)-3-pyridinyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933800
2-fluoro-5-[4-methyl-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917570
4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
CID 18933691
4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907647
4-[3-(hydroxymethyl)-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370522
4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
CID 22907574
4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917706
4-[5-(5-fluoro-2-pyridinyl)-3,3-dimethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370430
CID 67861960
CID 67861960

Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide?
The IUPAC name of 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide (CID 54366326) is 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2CCC23C=CC(c2ccc(F)nc2)=C3)cc1.
What is the InChIKey of 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide?
The InChIKey is UQAWAWAACCJKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-18-6-3-15(12-22-18)14-7-9-19(11-14)10-8-17(19)13-1-4-16(5-2-13)25(21,23)24/h1-7,9,11-12,17H,8,10H2,(H2,21,23,24).
What are the key properties of 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide?
4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 54366326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).