4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide

C11H12N2O4S — CID 71602410

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
InChIKeyAYNHSSHRIRNWEB-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.02
Rot. Bonds3

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide (PubChem CID 71602410) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
PubChem CID71602410
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
InChIKeyAYNHSSHRIRNWEB-UHFFFAOYSA-N
XLogP-0.02
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide (CID 71602410) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The InChIKey is AYNHSSHRIRNWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide has a molecular weight of 268.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71602410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).