1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one

C11H12N2O3S — CID 71422035

IUPAC1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one
SMILESC=CC1CN(S(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O3S/c1-2-9-8-13(11(14)12-9)17(15,16)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,12,14)
InChIKeyMRYHOKMYOGCADZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.96
Rot. Bonds3

About 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one

1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one (PubChem CID 71422035) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one
PubChem CID71422035
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one
SMILESC=CC1CN(S(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O3S/c1-2-9-8-13(11(14)12-9)17(15,16)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,12,14)
InChIKeyMRYHOKMYOGCADZ-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline
CID 10717950
(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine
CID 11034796
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
(3S,4R)-3-(benzenesulfonyl)-1-benzyl-4-ethenylpyrrolidin-2-one
CID 10854724
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
(1S,2S,4S,5S)-3-(benzenesulfonyl)-3-azatricyclo[3.2.1.02,4]octane
CID 124920852
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
1-(benzenesulfonyl)-4-phenyl-3-propylimidazolidin-2-one
CID 15418827

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one (CID 71422035) is 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one is C=CC1CN(S(=O)(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one?
The InChIKey is MRYHOKMYOGCADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-9-8-13(11(14)12-9)17(15,16)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,12,14).
What are the key properties of 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one?
1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one has a molecular weight of 252.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one is sourced from PubChem (CID 71422035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).