ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate

C10H12Br2N2O4S — CID 61457058

IUPACethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H12Br2N2O4S/c1-2-18-9(15)5-19(16,17)14-10-7(11)3-6(13)4-8(10)12/h3-4,14H,2,5,13H2,1H3
InChIKeyYQNFTWKAKOZRQE-UHFFFAOYSA-N
MW416.09 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate

ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate (PubChem CID 61457058) has the molecular formula C10H12Br2N2O4S and a molecular weight of 416.09 g/mol. Its IUPAC name is ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
PubChem CID61457058
Molecular FormulaC10H12Br2N2O4S
Molecular Weight416.09 g/mol
Exact Mass413.89
IUPAC Nameethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H12Br2N2O4S/c1-2-18-9(15)5-19(16,17)14-10-7(11)3-6(13)4-8(10)12/h3-4,14H,2,5,13H2,1H3
InChIKeyYQNFTWKAKOZRQE-UHFFFAOYSA-N
XLogP2.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]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-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate
CID 61456633
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
CID 62084091
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate
CID 61457278
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate (CID 61457058) is ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1c(Br)cc(N)cc1Br.
What is the InChIKey of ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate?
The InChIKey is YQNFTWKAKOZRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O4S/c1-2-18-9(15)5-19(16,17)14-10-7(11)3-6(13)4-8(10)12/h3-4,14H,2,5,13H2,1H3.
What are the key properties of ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate?
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate has a molecular weight of 416.09 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate is sourced from PubChem (CID 61457058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).