4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide

C18H15FN2O5S — CID 110582922

IUPAC4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H15FN2O5S/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(8-2-11)27(20,25)26/h1-8,22H,9-10H2,(H2,20,25,26)
InChIKeyHETCVUWYMFCQFB-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.35
Rot. Bonds5

About 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide

4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide (PubChem CID 110582922) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
PubChem CID110582922
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H15FN2O5S/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(8-2-11)27(20,25)26/h1-8,22H,9-10H2,(H2,20,25,26)
InChIKeyHETCVUWYMFCQFB-UHFFFAOYSA-N
XLogP1.35
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
CID 163112984
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110585947
4-[2-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)ethyl]benzenesulfonamide
CID 110560001
3-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110543193
3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110569177
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
1-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571860
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110581436
4-[2-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]ethyl]benzenesulfonamide
CID 110560003
3-(2,3-dimethylanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600349

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide (CID 110582922) is 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is HETCVUWYMFCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(8-2-11)27(20,25)26/h1-8,22H,9-10H2,(H2,20,25,26).
What are the key properties of 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110582922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).