1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one

C11H14BrN3O3S — CID 81185572

IUPAC1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one
SMILESNc1cc(Br)ccc1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C11H14BrN3O3S/c12-8-1-2-10(9(13)7-8)19(17,18)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyDWVIDVHGIAJAEV-UHFFFAOYSA-N
MW348.22 g/mol
LogP0.83
Rot. Bonds4

About 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one

1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one (PubChem CID 81185572) has the molecular formula C11H14BrN3O3S and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one
PubChem CID81185572
Molecular FormulaC11H14BrN3O3S
Molecular Weight348.22 g/mol
Exact Mass346.99
IUPAC Name1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one
SMILESNc1cc(Br)ccc1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C11H14BrN3O3S/c12-8-1-2-10(9(13)7-8)19(17,18)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyDWVIDVHGIAJAEV-UHFFFAOYSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-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-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one (CID 81185572) is 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one is Nc1cc(Br)ccc1S(=O)(=O)CCN1CCNC1=O.
What is the InChIKey of 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one?
The InChIKey is DWVIDVHGIAJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S/c12-8-1-2-10(9(13)7-8)19(17,18)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one?
1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one has a molecular weight of 348.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one is sourced from PubChem (CID 81185572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).