1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one

C11H14ClN3O3S — CID 81182694

IUPAC1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one
SMILESNc1cccc(Cl)c1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C11H14ClN3O3S/c12-8-2-1-3-9(13)10(8)19(17,18)7-6-15-5-4-14-11(15)16/h1-3H,4-7,13H2,(H,14,16)
InChIKeyZSHBSUFQDRDSTK-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.72
Rot. Bonds4

About 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one

1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one (PubChem CID 81182694) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one
PubChem CID81182694
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one
SMILESNc1cccc(Cl)c1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C11H14ClN3O3S/c12-8-2-1-3-9(13)10(8)19(17,18)7-6-15-5-4-14-11(15)16/h1-3H,4-7,13H2,(H,14,16)
InChIKeyZSHBSUFQDRDSTK-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-amino-6-chlorophenyl)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-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one (CID 81182694) is 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one is Nc1cccc(Cl)c1S(=O)(=O)CCN1CCNC1=O.
What is the InChIKey of 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one?
The InChIKey is ZSHBSUFQDRDSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-8-2-1-3-9(13)10(8)19(17,18)7-6-15-5-4-14-11(15)16/h1-3H,4-7,13H2,(H,14,16).
What are the key properties of 1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one?
1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one has a molecular weight of 303.77 g/mol, XLogP of 0.72, 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-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one is sourced from PubChem (CID 81182694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).