2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione

C15H11NO5S — CID 86167049

IUPAC2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione
SMILESCOc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO5S/c1-21-10-6-8-11(9-7-10)22(19,20)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyFPVSGYOODONUGT-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione

2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione (PubChem CID 86167049) has the molecular formula C15H11NO5S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione
PubChem CID86167049
Molecular FormulaC15H11NO5S
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione
SMILESCOc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO5S/c1-21-10-6-8-11(9-7-10)22(19,20)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyFPVSGYOODONUGT-UHFFFAOYSA-N
XLogP1.68
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
CID 2078615
2,5-Dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester
CID 2201555
(1,3-Dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2815177
2-[3-(3-Methoxyphenyl)propanoyl]-1,2-benzothiazol-3-one
CID 101879103
2-[3-(4-Methoxyphenyl)propanoyl]-1,2-benzothiazol-3-one
CID 101879104
2-[2-(2-Methoxyphenyl)acetyl]-1,2-benzothiazol-3-one
CID 118724011
2-[2-(4-Methoxyphenyl)acetyl]-1,2-benzothiazol-3-one
CID 118724013
2-[3-(2-Methoxyphenyl)propanoyl]-1,2-benzothiazol-3-one
CID 118724025
2-[4-(4-Methoxyphenyl)butanoyl]-1,2-benzothiazol-3-one
CID 118724033
2-[(3-Methoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 4879901
ethyl 5-methoxy-3-oxo-1,2-benzisothiazole-2(3H)-carboxylate 1,1-dioxide
CID 655221

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione (CID 86167049) is 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione is COc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione?
The InChIKey is FPVSGYOODONUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5S/c1-21-10-6-8-11(9-7-10)22(19,20)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione?
2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione has a molecular weight of 317.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylisoindole-1,3-dione is sourced from PubChem (CID 86167049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).