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

C10H11BrFNO4S — CID 113452283

IUPACethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-18(15,16)13-7-3-4-9(12)8(11)5-7/h3-5,13H,2,6H2,1H3
InChIKeyLJBFIWFFLGHPCC-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.89
Rot. Bonds5

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

ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate (PubChem CID 113452283) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
PubChem CID113452283
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Nameethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-18(15,16)13-7-3-4-9(12)8(11)5-7/h3-5,13H,2,6H2,1H3
InChIKeyLJBFIWFFLGHPCC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
ethyl 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61456594
5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
CID 61456896
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate (CID 113452283) is ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate?
The InChIKey is LJBFIWFFLGHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-2-17-10(14)6-18(15,16)13-7-3-4-9(12)8(11)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate?
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate has a molecular weight of 340.17 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 113452283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).