2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione

C18H16N2O5S — CID 969454

IUPAC2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H16N2O5S/c21-17-15-3-1-2-4-16(15)18(22)20(17)13-5-7-14(8-6-13)26(23,24)19-9-11-25-12-10-19/h1-8H,9-12H2
InChIKeyCZWVHOJDIJIJOH-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione

2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione (PubChem CID 969454) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione
PubChem CID969454
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H16N2O5S/c21-17-15-3-1-2-4-16(15)18(22)20(17)13-5-7-14(8-6-13)26(23,24)19-9-11-25-12-10-19/h1-8H,9-12H2
InChIKeyCZWVHOJDIJIJOH-UHFFFAOYSA-N
XLogP1.51
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.51
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

4-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
CID 3586494
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-(1-Benzyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)propanedinitrile
CID 42618281
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
2-[4-(4-Phenyl-piperazine-1-sulfonyl)-phenyl]-isoindole-1,3-dione
CID 647077
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3235931
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3237334
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione (CID 969454) is 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione?
The InChIKey is CZWVHOJDIJIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17-15-3-1-2-4-16(15)18(22)20(17)13-5-7-14(8-6-13)26(23,24)19-9-11-25-12-10-19/h1-8H,9-12H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione?
2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione has a molecular weight of 372.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 969454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).