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

C17H14N2O6S — CID 110581640

IUPAC4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H14N2O6S/c1-25-13-5-3-2-4-12(13)14-15(20)17(22)19(16(14)21)10-6-8-11(9-7-10)26(18,23)24/h2-9,20H,1H3,(H2,18,23,24)
InChIKeyXMQVTUOCPJMWGR-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.19
Rot. Bonds4

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

4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide (PubChem CID 110581640) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
PubChem CID110581640
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H14N2O6S/c1-25-13-5-3-2-4-12(13)14-15(20)17(22)19(16(14)21)10-6-8-11(9-7-10)26(18,23)24/h2-9,20H,1H3,(H2,18,23,24)
InChIKeyXMQVTUOCPJMWGR-UHFFFAOYSA-N
XLogP1.19
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-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

1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581667
3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581547
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110583869
3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581599
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110581570
4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 110561205
3-(4-methoxyanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110598415

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide (CID 110581640) is 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide is COc1ccccc1C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide?
The InChIKey is XMQVTUOCPJMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c1-25-13-5-3-2-4-12(13)14-15(20)17(22)19(16(14)21)10-6-8-11(9-7-10)26(18,23)24/h2-9,20H,1H3,(H2,18,23,24).
What are the key properties of 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide?
4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide has a molecular weight of 374.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 110581640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).