ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate

C11H14BrNO4S — CID 50890872

IUPACethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14BrNO4S/c1-3-17-11(14)8-13(18(2,15)16)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyZQIHJPRGAZDTJE-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.78
Rot. Bonds5

About ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate

ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate (PubChem CID 50890872) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
PubChem CID50890872
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Nameethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14BrNO4S/c1-3-17-11(14)8-13(18(2,15)16)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyZQIHJPRGAZDTJE-UHFFFAOYSA-N
XLogP1.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate 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 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-methylsulfonyl-4-propan-2-ylanilino)acetate
CID 50893587
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl 2-(N-(4-bromophenyl)sulfonyl-4-iodoanilino)acetate
CID 50891070
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-(N-(4-bromo-2-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 60579266
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate (CID 50890872) is ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate is CCOC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate?
The InChIKey is ZQIHJPRGAZDTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-3-17-11(14)8-13(18(2,15)16)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate?
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate has a molecular weight of 336.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 50890872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).