3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione

C12H12ClFN2O4S — CID 138020449

IUPAC3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCS(=O)(=O)c2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C12H12ClFN2O4S/c1-15-7-11(17)16(12(15)18)4-5-21(19,20)10-6-8(13)2-3-9(10)14/h2-3,6H,4-5,7H2,1H3
InChIKeyRCDGDGDWOFRISE-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.15
Rot. Bonds4

About 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione

3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 138020449) has the molecular formula C12H12ClFN2O4S and a molecular weight of 334.76 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione
PubChem CID138020449
Molecular FormulaC12H12ClFN2O4S
Molecular Weight334.76 g/mol
Exact Mass334.02
IUPAC Name3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCS(=O)(=O)c2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C12H12ClFN2O4S/c1-15-7-11(17)16(12(15)18)4-5-21(19,20)10-6-8(13)2-3-9(10)14/h2-3,6H,4-5,7H2,1H3
InChIKeyRCDGDGDWOFRISE-UHFFFAOYSA-N
XLogP1.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)sulfonyl-3-propyl-imidazolidine-2,4-dione
CID 389564
1-[2-(4-Chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione
CID 47021900
1-[(2S)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 8680786
1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 8680791
1-[2-(3-Chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 18092010
1-[2-(3-Chloro-4-fluorophenyl)sulfanylacetyl]imidazolidin-2-one
CID 24455000
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
CID 43016233
1-[2-(4-Chlorophenyl)sulfonylethyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
CID 47016332
1-Butyl-3-[3-(4-fluorophenyl)sulfonylpropyl]imidazolidine-2,4,5-trione
CID 56066932
3-[2-(3-Chloro-4-fluorophenyl)sulfonylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 72138792
2-(2,5-dioxo-1-imidazolidinyl)-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}acetamide
CID 72854238
3-chloro-4-fluoro-N-(2-(3-(methylsulfonyl)pyrrolidin-1-yl)-2-oxoethyl)benzenesulfonamide
CID 90586872

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione (CID 138020449) is 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCS(=O)(=O)c2cc(Cl)ccc2F)C1=O.
What is the InChIKey of 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is RCDGDGDWOFRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O4S/c1-15-7-11(17)16(12(15)18)4-5-21(19,20)10-6-8(13)2-3-9(10)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 334.76 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-fluorophenyl)sulfonylethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 138020449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).