2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione

C19H18N2O5S — CID 168517930

IUPAC2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-27(24,25)17-7-6-13(20-8-10-26-11-9-20)12-16(17)21-18(22)14-4-2-3-5-15(14)19(21)23/h2-7,12H,8-11H2,1H3
InChIKeySYADEZMBPOXITN-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione

2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione (PubChem CID 168517930) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione
PubChem CID168517930
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-27(24,25)17-7-6-13(20-8-10-26-11-9-20)12-16(17)21-18(22)14-4-2-3-5-15(14)19(21)23/h2-7,12H,8-11H2,1H3
InChIKeySYADEZMBPOXITN-UHFFFAOYSA-N
XLogP1.73
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(azepan-1-yl)-2-propan-2-ylsulfonylphenyl]isoindole-1,3-dione
CID 168518036
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
CID 168516530
2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 1105075
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
5-morpholin-4-yl-1H-indole-2,3-dione
CID 16781550
2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)isoindole-1,3-dione
CID 168517307
2-[4-(4-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518107
2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 54215076
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione (CID 168517930) is 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione is CS(=O)(=O)c1ccc(N2CCOCC2)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione?
The InChIKey is SYADEZMBPOXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-27(24,25)17-7-6-13(20-8-10-26-11-9-20)12-16(17)21-18(22)14-4-2-3-5-15(14)19(21)23/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione?
2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione has a molecular weight of 386.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168517930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).