ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate

C10H11BrClNO4S — CID 81274474

IUPACethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO4S/c1-2-17-10(14)6-18(15,16)13-9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyQEHIOTJQXGQZCH-UHFFFAOYSA-N
MW356.63 g/mol
LogP2.41
Rot. Bonds5

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

ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate (PubChem CID 81274474) has the molecular formula C10H11BrClNO4S and a molecular weight of 356.63 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
PubChem CID81274474
Molecular FormulaC10H11BrClNO4S
Molecular Weight356.63 g/mol
Exact Mass354.93
IUPAC Nameethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO4S/c1-2-17-10(14)6-18(15,16)13-9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyQEHIOTJQXGQZCH-UHFFFAOYSA-N
XLogP2.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 3-[(4-chloro-2-iodophenyl)sulfamoyl]propanoate
CID 103764005
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
ethyl 3-bromo-4-(ethylsulfonylamino)benzoate
CID 43624445
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate (CID 81274474) is ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate?
The InChIKey is QEHIOTJQXGQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO4S/c1-2-17-10(14)6-18(15,16)13-9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate?
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate has a molecular weight of 356.63 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 81274474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).