N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide

C14H16N2O5S — CID 146124036

IUPACN-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H16N2O5S/c1-2-22(20,21)10-5-3-9(4-6-10)13(18)15-11-7-8-12(17)16-14(11)19/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyMESIEXOONYKBDY-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.02
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide

N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide (PubChem CID 146124036) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
PubChem CID146124036
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H16N2O5S/c1-2-22(20,21)10-5-3-9(4-6-10)13(18)15-11-7-8-12(17)16-14(11)19/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyMESIEXOONYKBDY-UHFFFAOYSA-N
XLogP0.02
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide (CID 146124036) is N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccc(C(=O)NC2CCC(=O)NC2=O)cc1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide?
The InChIKey is MESIEXOONYKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-2-22(20,21)10-5-3-9(4-6-10)13(18)15-11-7-8-12(17)16-14(11)19/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide has a molecular weight of 324.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide is sourced from PubChem (CID 146124036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).