3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione

C20H20N2O5S — CID 177339807

IUPAC3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESCOc1ccccc1S(=O)(=O)N1Cc2ccc(C3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C20H20N2O5S/c1-27-17-4-2-3-5-18(17)28(25,26)22-11-14-7-6-13(10-15(14)12-22)16-8-9-19(23)21-20(16)24/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23,24)
InChIKeyXDQZGWCPBRYPLR-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.92
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione

3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (PubChem CID 177339807) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
PubChem CID177339807
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESCOc1ccccc1S(=O)(=O)N1Cc2ccc(C3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C20H20N2O5S/c1-27-17-4-2-3-5-18(17)28(25,26)22-11-14-7-6-13(10-15(14)12-22)16-8-9-19(23)21-20(16)24/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23,24)
InChIKeyXDQZGWCPBRYPLR-UHFFFAOYSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (CID 177339807) is 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is COc1ccccc1S(=O)(=O)N1Cc2ccc(C3CCC(=O)NC3=O)cc2C1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The InChIKey is XDQZGWCPBRYPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-27-17-4-2-3-5-18(17)28(25,26)22-11-14-7-6-13(10-15(14)12-22)16-8-9-19(23)21-20(16)24/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23,24).
What are the key properties of 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione has a molecular weight of 400.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 177339807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).