(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene

C23H24FNO2S — CID 71722530

IUPAC(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene
SMILESCc1ccc(S(=O)(=O)N2C/C(=C(\F)c3ccccc3)C3(C=CCCC3)C2)cc1
InChIInChI=1S/C23H24FNO2S/c1-18-10-12-20(13-11-18)28(26,27)25-16-21(22(24)19-8-4-2-5-9-19)23(17-25)14-6-3-7-15-23/h2,4-6,8-14H,3,7,15-17H2,1H3/b22-21+
InChIKeyYXILKBZVNBZSST-QURGRASLSA-N
MW397.52 g/mol
LogP5.11
Rot. Bonds3

About (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene

(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene (PubChem CID 71722530) has the molecular formula C23H24FNO2S and a molecular weight of 397.52 g/mol. Its IUPAC name is (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene
PubChem CID71722530
Molecular FormulaC23H24FNO2S
Molecular Weight397.52 g/mol
Exact Mass397.15
IUPAC Name(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene
SMILESCc1ccc(S(=O)(=O)N2C/C(=C(\F)c3ccccc3)C3(C=CCCC3)C2)cc1
InChIInChI=1S/C23H24FNO2S/c1-18-10-12-20(13-11-18)28(26,27)25-16-21(22(24)19-8-4-2-5-9-19)23(17-25)14-6-3-7-15-23/h2,4-6,8-14H,3,7,15-17H2,1H3/b22-21+
InChIKeyYXILKBZVNBZSST-QURGRASLSA-N
XLogP5.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene?
The IUPAC name of (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene (CID 71722530) is (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene.
What is the SMILES notation for (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene?
The canonical SMILES for (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene is Cc1ccc(S(=O)(=O)N2C/C(=C(\F)c3ccccc3)C3(C=CCCC3)C2)cc1.
What is the InChIKey of (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene?
The InChIKey is YXILKBZVNBZSST-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FNO2S/c1-18-10-12-20(13-11-18)28(26,27)25-16-21(22(24)19-8-4-2-5-9-19)23(17-25)14-6-3-7-15-23/h2,4-6,8-14H,3,7,15-17H2,1H3/b22-21+.
What are the key properties of (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene?
(4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene has a molecular weight of 397.52 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[fluoro(phenyl)methylidene]-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene is sourced from PubChem (CID 71722530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).