(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H16N2O7S — CID 3970570

IUPAC(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16N2O7S/c24-19-17-5-1-2-6-18(17)20(25)23(19)13-30-21(26)14-7-9-16(10-8-14)31(27,28)22-12-15-4-3-11-29-15/h1-11,22H,12-13H2
InChIKeyJUDARMCUGUIMQV-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.17
Rot. Bonds7

About (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 3970570) has the molecular formula C21H16N2O7S and a molecular weight of 440.43 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID3970570
Molecular FormulaC21H16N2O7S
Molecular Weight440.43 g/mol
Exact Mass440.07
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16N2O7S/c24-19-17-5-1-2-6-18(17)20(25)23(19)13-30-21(26)14-7-9-16(10-8-14)31(27,28)22-12-15-4-3-11-29-15/h1-11,22H,12-13H2
InChIKeyJUDARMCUGUIMQV-UHFFFAOYSA-N
XLogP2.17
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
(1,3-dioxoisoindol-2-yl)methyl 4-(prop-2-enylsulfamoyl)benzoate
CID 42330969
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3441171
(3-cyanophenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765848
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 3970570) is (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is JUDARMCUGUIMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O7S/c24-19-17-5-1-2-6-18(17)20(25)23(19)13-30-21(26)14-7-9-16(10-8-14)31(27,28)22-12-15-4-3-11-29-15/h1-11,22H,12-13H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 440.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 3970570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).