ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate

C10H11BrFNO4S — CID 113242602

IUPACethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-13-18(15,16)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyGBPOQXOLBOVEKM-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate

ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate (PubChem CID 113242602) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
PubChem CID113242602
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Nameethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-13-18(15,16)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyGBPOQXOLBOVEKM-UHFFFAOYSA-N
XLogP1.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]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

methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103710320
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
2-chloro-5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-3-fluorobenzoic acid
CID 81452105
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate (CID 113242602) is ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is GBPOQXOLBOVEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-13-18(15,16)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate?
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 340.17 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 113242602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).