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

C12H14N2O4S — CID 2316976

IUPAC4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyQLNOPHDWPSAMRG-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.03
Rot. Bonds4

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

4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 2316976) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID2316976
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyQLNOPHDWPSAMRG-UHFFFAOYSA-N
XLogP0.03
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.03
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-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide (CID 2316976) is 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is QLNOPHDWPSAMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18).
What are the key properties of 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2316976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).