2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate

C19H18N2O6S — CID 8568285

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-2-20-28(25,26)14-9-7-13(8-10-14)19(24)27-12-11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10,20H,2,11-12H2,1H3
InChIKeyPGEWBUFGSAVFGI-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.44
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate

2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate (PubChem CID 8568285) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate
PubChem CID8568285
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-2-20-28(25,26)14-9-7-13(8-10-14)19(24)27-12-11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10,20H,2,11-12H2,1H3
InChIKeyPGEWBUFGSAVFGI-UHFFFAOYSA-N
XLogP1.44
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)butyl 4-(methylsulfamoyl)benzoate
CID 36707218
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275061
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2598527
3-(1,3-dioxoisoindol-2-yl)propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564795
(1,3-dioxoisoindol-2-yl)methyl 4-(prop-2-enylsulfamoyl)benzoate
CID 42330969
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 2395225
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(difluoromethoxy)benzoate
CID 2629528
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2-methylpropoxy)benzoate
CID 2680543
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate
CID 7744408

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate (CID 8568285) is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate?
The InChIKey is PGEWBUFGSAVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-2-20-28(25,26)14-9-7-13(8-10-14)19(24)27-12-11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate has a molecular weight of 402.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 8568285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).