3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione

C12H11NO4S — CID 139892071

IUPAC3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(S(=O)(=O)c2ccccc2C)C1=O
InChIInChI=1S/C12H11NO4S/c1-8-5-3-4-6-10(8)18(16,17)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InChIKeyCFVRRIGBRCLSEZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.00
Rot. Bonds2

About 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione

3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione (PubChem CID 139892071) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione
PubChem CID139892071
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(S(=O)(=O)c2ccccc2C)C1=O
InChIInChI=1S/C12H11NO4S/c1-8-5-3-4-6-10(8)18(16,17)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InChIKeyCFVRRIGBRCLSEZ-UHFFFAOYSA-N
XLogP1.00
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
5,11-bis[(2-methylphenyl)sulfonyl]benzo[c][1,5]benzodiazocine-6,12-dione
CID 1381888
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
3-(2-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989146
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
1-methyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-3H-indol-2-one
CID 110414865

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione (CID 139892071) is 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione is C=C1CC(=O)N(S(=O)(=O)c2ccccc2C)C1=O.
What is the InChIKey of 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione?
The InChIKey is CFVRRIGBRCLSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-8-5-3-4-6-10(8)18(16,17)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3.
What are the key properties of 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione?
3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione has a molecular weight of 265.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione is sourced from PubChem (CID 139892071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).