methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate

C9H9BrClNO4S — CID 103480162

IUPACmethyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H9BrClNO4S/c1-16-8(13)5-17(14,15)12-7-4-2-3-6(11)9(7)10/h2-4,12H,5H2,1H3
InChIKeyYIRLZBMJVRKBSH-UHFFFAOYSA-N
MW342.60 g/mol
LogP2.02
Rot. Bonds4

About methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate

methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate (PubChem CID 103480162) has the molecular formula C9H9BrClNO4S and a molecular weight of 342.60 g/mol. Its IUPAC name is methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
PubChem CID103480162
Molecular FormulaC9H9BrClNO4S
Molecular Weight342.60 g/mol
Exact Mass340.91
IUPAC Namemethyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H9BrClNO4S/c1-16-8(13)5-17(14,15)12-7-4-2-3-6(11)9(7)10/h2-4,12H,5H2,1H3
InChIKeyYIRLZBMJVRKBSH-UHFFFAOYSA-N
XLogP2.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
CID 103479902
3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
CID 103477657
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
N-(2-bromo-3-chlorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 103480494
methyl 2-[(3-formylphenyl)sulfamoyl]acetate
CID 106913056
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate (CID 103480162) is methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate?
The InChIKey is YIRLZBMJVRKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO4S/c1-16-8(13)5-17(14,15)12-7-4-2-3-6(11)9(7)10/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate?
methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate has a molecular weight of 342.60 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 103480162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).