ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate

C11H13Br2NO4S — CID 60643187

IUPACethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGNCBWOCTOAUYBW-UHFFFAOYSA-N
MW415.10 g/mol
LogP2.44
Rot. Bonds6

About ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate

ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate (PubChem CID 60643187) has the molecular formula C11H13Br2NO4S and a molecular weight of 415.10 g/mol. Its IUPAC name is ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
PubChem CID60643187
Molecular FormulaC11H13Br2NO4S
Molecular Weight415.10 g/mol
Exact Mass412.89
IUPAC Nameethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGNCBWOCTOAUYBW-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(2,5-dibromophenyl)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

Related Compounds

ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
ethyl 3-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491697
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 26086022
2,5-dibromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 60629358
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate (CID 60643187) is ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate?
The InChIKey is GNCBWOCTOAUYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate?
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate has a molecular weight of 415.10 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 60643187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).