2-ethylsulfonylisoindole-1,3-dione

C10H9NO4S — CID 59677957

IUPAC2-ethylsulfonylisoindole-1,3-dione
SMILESCCS(=O)(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO4S/c1-2-16(14,15)11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChIKeyORZCAOFWYGNXGB-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.63
Rot. Bonds2

About 2-ethylsulfonylisoindole-1,3-dione

2-ethylsulfonylisoindole-1,3-dione (PubChem CID 59677957) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-ethylsulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethylsulfonylisoindole-1,3-dione
PubChem CID59677957
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name2-ethylsulfonylisoindole-1,3-dione
SMILESCCS(=O)(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO4S/c1-2-16(14,15)11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChIKeyORZCAOFWYGNXGB-UHFFFAOYSA-N
XLogP0.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylsulfonylisoindole-1,3-dione
CID 164625261
2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]isoindole-1,3-dione
CID 68612974
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
anthracene-9,10-dione;propane
CID 162068050
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-[dichloro(fluoro)-λ4-sulfanyl]isoindole-1,3-dione
CID 54574895
2-(4-phenylphenyl)sulfonylisoindole-1,3-dione
CID 164613520
2-diethylphosphanylisoindole-1,3-dione
CID 23341095
hydron;2-propylisoindole-1,3-dione
CID 174827386
1-ethylsulfonyl-3-phenylpyridin-2-one
CID 70512764
2-(1-ethylsulfonyl-2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 121001111
4-amino-2-(chloromethylsulfonyl)isoindole-1,3-dione
CID 63665376

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylisoindole-1,3-dione?
The IUPAC name of 2-ethylsulfonylisoindole-1,3-dione (CID 59677957) is 2-ethylsulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-ethylsulfonylisoindole-1,3-dione?
The canonical SMILES for 2-ethylsulfonylisoindole-1,3-dione is CCS(=O)(=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-ethylsulfonylisoindole-1,3-dione?
The InChIKey is ORZCAOFWYGNXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-2-16(14,15)11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfonylisoindole-1,3-dione?
2-ethylsulfonylisoindole-1,3-dione has a molecular weight of 239.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylisoindole-1,3-dione is sourced from PubChem (CID 59677957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).