4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide

C13H17N3O4S — CID 79570373

IUPAC4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C13H17N3O4S/c1-7-4-9(14)5-8(2)12(7)21(19,20)15-10-6-11(17)16(3)13(10)18/h4-5,10,15H,6,14H2,1-3H3
InChIKeyWGNZVOPAGCIGIS-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.08
Rot. Bonds3

About 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 79570373) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID79570373
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C13H17N3O4S/c1-7-4-9(14)5-8(2)12(7)21(19,20)15-10-6-11(17)16(3)13(10)18/h4-5,10,15H,6,14H2,1-3H3
InChIKeyWGNZVOPAGCIGIS-UHFFFAOYSA-N
XLogP-0.08
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 155519746
4-[4-(Hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
CID 155520598
N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 706858
N-cyclohexyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 1504731
2,6-Dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 847885
N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 990949
5-amino-2-fluoro-4-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 65683858
4-amino-2,6-difluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 65684636
4-amino-2-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 65686388
N-[1-(4-Fluoro-3-methylphenyl)-2-oxopyrrolidin-3-YL]-2,4-dimethylbenzene-1-sulfonamide
CID 71838491
N-[1-(3,5-Dimethylphenyl)-2-oxopyrrolidin-3-YL]-3,5-difluorobenzene-1-sulfonamide
CID 71838507
N-[1-(3,5-Dimethylphenyl)-2-oxopyrrolidin-3-YL]-2-fluorobenzene-1-sulfonamide
CID 71838513

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide (CID 79570373) is 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC1CC(=O)N(C)C1=O.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is WGNZVOPAGCIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-4-9(14)5-8(2)12(7)21(19,20)15-10-6-11(17)16(3)13(10)18/h4-5,10,15H,6,14H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79570373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).