N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide

C19H20N2O6S — CID 43853558

IUPACN-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1OC
InChIInChI=1S/C19H20N2O6S/c1-12-10-14(5-6-15(12)21-18(22)8-9-19(21)23)28(24,25)20-13-4-7-16(26-2)17(11-13)27-3/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyZPVWVZYWMJEACM-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.47
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide (PubChem CID 43853558) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
PubChem CID43853558
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1OC
InChIInChI=1S/C19H20N2O6S/c1-12-10-14(5-6-15(12)21-18(22)8-9-19(21)23)28(24,25)20-13-4-7-16(26-2)17(11-13)27-3/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyZPVWVZYWMJEACM-UHFFFAOYSA-N
XLogP2.47
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.47
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

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853583
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
N-[4-(cyanomethyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100637490
3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
CID 50760100
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
ethyl 2-chloro-4-[[3-(2,5-dioxopyrrolidin-1-yl)-4-methoxyphenyl]sulfonylamino]benzoate
CID 100672822

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide (CID 43853558) is N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The InChIKey is ZPVWVZYWMJEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-12-10-14(5-6-15(12)21-18(22)8-9-19(21)23)28(24,25)20-13-4-7-16(26-2)17(11-13)27-3/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 43853558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).