(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide

C24H19FN2O3S2 — CID 143906943

About (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide

(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide (PubChem CID 143906943) has the molecular formula C24H19FN2O3S2 and a molecular weight of 466.56 g/mol. Its IUPAC name is (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide.

Molecular Properties

• Compound Name: (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
• PubChem CID: 143906943
• Molecular Formula: C24H19FN2O3S2
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.08
• IUPAC Name: (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
• SMILES: C=C/C(F)=C(\C)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
• InChI: InChI=1S/C24H19FN2O3S2/c1-3-19(25)15(2)32(29,30)27-20-14-22(24(28)18-11-5-4-10-17(18)20)31-21-12-6-8-16-9-7-13-26-23(16)21/h3-14,27-28H,1H2,2H3/b19-15-
• InChIKey: MJXPECPTBYYPSD-CYVLTUHYSA-N
• XLogP: 6.37
• TPSA: 79.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?

The IUPAC name of (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide (CID 143906943) is (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide.

What is the SMILES notation for (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?

The canonical SMILES for (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide is C=C/C(F)=C(\C)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12.

What is the InChIKey of (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?

The InChIKey is MJXPECPTBYYPSD-CYVLTUHYSA-N. The full InChI is InChI=1S/C24H19FN2O3S2/c1-3-19(25)15(2)32(29,30)27-20-14-22(24(28)18-11-5-4-10-17(18)20)31-21-12-6-8-16-9-7-13-26-23(16)21/h3-14,27-28H,1H2,2H3/b19-15-.

What are the key properties of (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?

(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide has a molecular weight of 466.56 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide is sourced from PubChem (CID 143906943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).