methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate

C10H11BrFNO4S — CID 61359731

IUPACmethyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO4S/c1-17-10(14)6-18(15,16)13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyWHWYLGMRWUQPMT-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate

methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate (PubChem CID 61359731) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate
PubChem CID61359731
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Namemethyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO4S/c1-17-10(14)6-18(15,16)13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyWHWYLGMRWUQPMT-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorobenzyl)methanesulfonamide
CID 40161431
N-(3-bromo-5-fluorobenzyl)methanesulfonamide
CID 47320493
N-(4-bromo-2-fluorobenzyl)ethanesulfonamide
CID 70816043
N-[(4-bromo-3-fluorophenyl)methyl]propane-2-sulfonamide
CID 89650528
N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
CID 170447294
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide
CID 47363964
N-[(5-bromo-2-fluorophenyl)methyl]propane-2-sulfonamide
CID 47363965
N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide
CID 47364177
N-[(2-bromo-5-fluorophenyl)methyl]ethanesulfonamide
CID 47372699
N-[(2-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide
CID 47372787
N-(3-Bromo-5-fluorobenzyl)propane-2-sulfonamide
CID 47372822

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate (CID 61359731) is methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate?
The InChIKey is WHWYLGMRWUQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-17-10(14)6-18(15,16)13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate?
methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate has a molecular weight of 340.17 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-fluorophenyl)methylsulfamoyl]acetate is sourced from PubChem (CID 61359731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).