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

C20H20N2O4S — CID 177339773

IUPAC3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESCc1cccc(S(=O)(=O)N2Cc3ccc(C4CCC(=O)NC4=O)cc3C2)c1
InChIInChI=1S/C20H20N2O4S/c1-13-3-2-4-17(9-13)27(25,26)22-11-15-6-5-14(10-16(15)12-22)18-7-8-19(23)21-20(18)24/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,23,24)
InChIKeyGVLLMRNIXOKICK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.22
Rot. Bonds3

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

3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (PubChem CID 177339773) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
PubChem CID177339773
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
SMILESCc1cccc(S(=O)(=O)N2Cc3ccc(C4CCC(=O)NC4=O)cc3C2)c1
InChIInChI=1S/C20H20N2O4S/c1-13-3-2-4-17(9-13)27(25,26)22-11-15-6-5-14(10-16(15)12-22)18-7-8-19(23)21-20(18)24/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,23,24)
InChIKeyGVLLMRNIXOKICK-UHFFFAOYSA-N
XLogP2.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chlorophenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
CID 177339735
3-[2-(2-methoxyphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
CID 177339807
3-[2-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
CID 177339778
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
CID 177052361
CID 177052361
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222
3-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]sulfanyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
CID 177339753
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294148
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
3-[2-[2-(trifluoromethoxy)phenyl]sulfanyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione
CID 177339747
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione (CID 177339773) is 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is Cc1cccc(S(=O)(=O)N2Cc3ccc(C4CCC(=O)NC4=O)cc3C2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
The InChIKey is GVLLMRNIXOKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-3-2-4-17(9-13)27(25,26)22-11-15-6-5-14(10-16(15)12-22)18-7-8-19(23)21-20(18)24/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,23,24).
What are the key properties of 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione?
3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione has a molecular weight of 384.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 177339773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).