(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

C24H20N2O7S — CID 16596216

IUPAC(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H20N2O7S/c1-2-32-18-11-13-19(14-12-18)34(30,31)25-17-9-7-16(8-10-17)24(29)33-15-26-22(27)20-5-3-4-6-21(20)23(26)28/h3-14,25H,2,15H2,1H3
InChIKeyGVXRMSYVEOVFAU-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.30
Rot. Bonds8

About (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 16596216) has the molecular formula C24H20N2O7S and a molecular weight of 480.50 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID16596216
Molecular FormulaC24H20N2O7S
Molecular Weight480.50 g/mol
Exact Mass480.10
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H20N2O7S/c1-2-32-18-11-13-19(14-12-18)34(30,31)25-17-9-7-16(8-10-17)24(29)33-15-26-22(27)20-5-3-4-6-21(20)23(26)28/h3-14,25H,2,15H2,1H3
InChIKeyGVXRMSYVEOVFAU-UHFFFAOYSA-N
XLogP3.30
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.30
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

(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
(1,3-dioxoisoindol-2-yl)methyl 4-(prop-2-enylsulfamoyl)benzoate
CID 42330969
[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2118244
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2369538
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-(1,3-dioxoisoindol-2-yl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244319
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 16596216) is (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is GVXRMSYVEOVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7S/c1-2-32-18-11-13-19(14-12-18)34(30,31)25-17-9-7-16(8-10-17)24(29)33-15-26-22(27)20-5-3-4-6-21(20)23(26)28/h3-14,25H,2,15H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 480.50 g/mol, XLogP of 3.30, 8 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-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16596216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).