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

C13H17N3O4S — CID 103171602

IUPAC2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c1N
InChIInChI=1S/C13H17N3O4S/c1-7-4-5-8(2)12(11(7)14)21(19,20)15-9-6-10(17)16(3)13(9)18/h4-5,9,15H,6,14H2,1-3H3
InChIKeyRDZAXQFSZHPWCD-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.08
Rot. Bonds3

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

2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 103171602) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID103171602
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c1N
InChIInChI=1S/C13H17N3O4S/c1-7-4-5-8(2)12(11(7)14)21(19,20)15-9-6-10(17)16(3)13(9)18/h4-5,9,15H,6,14H2,1-3H3
InChIKeyRDZAXQFSZHPWCD-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide (CID 103171602) is 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is RDZAXQFSZHPWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-4-5-8(2)12(11(7)14)21(19,20)15-9-6-10(17)16(3)13(9)18/h4-5,9,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide?
2-amino-3,6-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 2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 103171602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).