1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one

C10H11BrN2O3S — CID 65480411

IUPAC1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one
SMILESO=C1NCCN1S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H11BrN2O3S/c11-7-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyADEZBYHXYZHXFS-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.30
Rot. Bonds3

About 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one

1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one (PubChem CID 65480411) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one
PubChem CID65480411
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one
SMILESO=C1NCCN1S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H11BrN2O3S/c11-7-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyADEZBYHXYZHXFS-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one?
The IUPAC name of 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one (CID 65480411) is 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one is O=C1NCCN1S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one?
The InChIKey is ADEZBYHXYZHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-7-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14).
What are the key properties of 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one?
1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one has a molecular weight of 319.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one is sourced from PubChem (CID 65480411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).