methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate

C11H11BrClN3O4S — CID 99836806

IUPACmethyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12
InChIInChI=1S/C11H11BrClN3O4S/c1-20-9(17)4-5-14-21(18,19)11-10(13)15-8-3-2-7(12)6-16(8)11/h2-3,6,14H,4-5H2,1H3
InChIKeyWBKKPTAFCOHMDE-UHFFFAOYSA-N
MW396.65 g/mol
LogP1.59
Rot. Bonds5

About methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate

methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate (PubChem CID 99836806) has the molecular formula C11H11BrClN3O4S and a molecular weight of 396.65 g/mol. Its IUPAC name is methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate
PubChem CID99836806
Molecular FormulaC11H11BrClN3O4S
Molecular Weight396.65 g/mol
Exact Mass394.93
IUPAC Namemethyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12
InChIInChI=1S/C11H11BrClN3O4S/c1-20-9(17)4-5-14-21(18,19)11-10(13)15-8-3-2-7(12)6-16(8)11/h2-3,6,14H,4-5H2,1H3
InChIKeyWBKKPTAFCOHMDE-UHFFFAOYSA-N
XLogP1.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate 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 methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate (CID 99836806) is methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12.
What is the InChIKey of methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate?
The InChIKey is WBKKPTAFCOHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O4S/c1-20-9(17)4-5-14-21(18,19)11-10(13)15-8-3-2-7(12)6-16(8)11/h2-3,6,14H,4-5H2,1H3.
What are the key properties of methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate?
methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate has a molecular weight of 396.65 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]propanoate is sourced from PubChem (CID 99836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).