3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C12H13ClN2O4S — CID 43557973

IUPAC3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O4S/c1-20(18,19)6-5-10-11(16)15(12(17)14-10)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,17)
InChIKeyYLPSYDISRVOXLW-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.20
Rot. Bonds4

About 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 43557973) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID43557973
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O4S/c1-20(18,19)6-5-10-11(16)15(12(17)14-10)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,17)
InChIKeyYLPSYDISRVOXLW-UHFFFAOYSA-N
XLogP1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
(5S)-1-(3-chlorophenyl)-5-(2-methylsulfonylethyl)piperazin-2-one;hydrochloride
CID 22941035
5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione
CID 62479854
5-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478434
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 119039669
3-(3-chlorophenyl)-5-methyl-1,3-diazepane-2,4-dione
CID 80541037
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
3-[2-[[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]pyrrolidin-1-yl]benzoic acid
CID 139034303
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 61314233

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 43557973) is 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCC1NC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is YLPSYDISRVOXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-20(18,19)6-5-10-11(16)15(12(17)14-10)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,17).
What are the key properties of 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 316.77 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43557973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).