N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide

C13H16N2O4S — CID 160855832

IUPACN-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCN(CCNS(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C13H16N2O4S/c16-11-6-8-15(13(17)10-11)9-7-14-20(18,19)12-4-2-1-3-5-12/h1-5,14H,6-10H2
InChIKeySJVMWZBYDGSIJA-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.16
Rot. Bonds5

About N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide

N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 160855832) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID160855832
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCN(CCNS(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C13H16N2O4S/c16-11-6-8-15(13(17)10-11)9-7-14-20(18,19)12-4-2-1-3-5-12/h1-5,14H,6-10H2
InChIKeySJVMWZBYDGSIJA-UHFFFAOYSA-N
XLogP0.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide (CID 160855832) is N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide is O=C1CCN(CCNS(=O)(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is SJVMWZBYDGSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-11-6-8-15(13(17)10-11)9-7-14-20(18,19)12-4-2-1-3-5-12/h1-5,14H,6-10H2.
What are the key properties of N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide?
N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 160855832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).