4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide

C13H14N2O6S — CID 21256278

IUPAC4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(N2C(=O)C=CC2=O)cc1OC
InChIInChI=1S/C13H14N2O6S/c1-14-22(18,19)11-7-9(20-2)8(6-10(11)21-3)15-12(16)4-5-13(15)17/h4-7,14H,1-3H3
InChIKeyCHNWJIYUXWHAOU-UHFFFAOYSA-N
MW326.33 g/mol
LogP0.04
Rot. Bonds5

About 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide

4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 21256278) has the molecular formula C13H14N2O6S and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID21256278
Molecular FormulaC13H14N2O6S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(N2C(=O)C=CC2=O)cc1OC
InChIInChI=1S/C13H14N2O6S/c1-14-22(18,19)11-7-9(20-2)8(6-10(11)21-3)15-12(16)4-5-13(15)17/h4-7,14H,1-3H3
InChIKeyCHNWJIYUXWHAOU-UHFFFAOYSA-N
XLogP0.04
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
CID 70601990
CID 70601990
2-(2,5-dimethoxy-4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione
CID 4738898
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
CID 70408239
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
5-(3-aminoprop-1-ynyl)-2-methoxy-N-methylbenzenesulfonamide
CID 54926911
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103637
[(1S)-1-cyanoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974456
4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103629

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide (CID 21256278) is 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(OC)c(N2C(=O)C=CC2=O)cc1OC.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is CHNWJIYUXWHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S/c1-14-22(18,19)11-7-9(20-2)8(6-10(11)21-3)15-12(16)4-5-13(15)17/h4-7,14H,1-3H3.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 326.33 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 21256278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).