methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate

C10H10BrFO5S — CID 146411633

IUPACmethyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1cc(Br)cc(F)c1OC
InChIInChI=1S/C10H10BrFO5S/c1-16-9(13)5-18(14,15)8-4-6(11)3-7(12)10(8)17-2/h3-4H,5H2,1-2H3
InChIKeySPWLCXUXLLHMMB-UHFFFAOYSA-N
MW341.15 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate

methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate (PubChem CID 146411633) has the molecular formula C10H10BrFO5S and a molecular weight of 341.15 g/mol. Its IUPAC name is methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate
PubChem CID146411633
Molecular FormulaC10H10BrFO5S
Molecular Weight341.15 g/mol
Exact Mass339.94
IUPAC Namemethyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1cc(Br)cc(F)c1OC
InChIInChI=1S/C10H10BrFO5S/c1-16-9(13)5-18(14,15)8-4-6(11)3-7(12)10(8)17-2/h3-4H,5H2,1-2H3
InChIKeySPWLCXUXLLHMMB-UHFFFAOYSA-N
XLogP1.54
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
3-amino-2-(5-bromo-3-fluoro-2-methoxyphenyl)propanoic acid
CID 117471394
5-bromo-3-fluoro-2-methoxybenzenesulfinic acid
CID 146411629
methyl 3-(2,4,6-tribromophenoxy)propanoate
CID 29005554
methyl (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate
CID 171248588
methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
CID 171896706
methyl 2-(benzenesulfonylmethylsulfonyl)acetate
CID 15026753
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
CID 130663727
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate?
The IUPAC name of methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate (CID 146411633) is methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate.
What is the SMILES notation for methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate?
The canonical SMILES for methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate is COC(=O)CS(=O)(=O)c1cc(Br)cc(F)c1OC.
What is the InChIKey of methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate?
The InChIKey is SPWLCXUXLLHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO5S/c1-16-9(13)5-18(14,15)8-4-6(11)3-7(12)10(8)17-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate?
methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate has a molecular weight of 341.15 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-3-fluoro-2-methoxyphenyl)sulfonylacetate is sourced from PubChem (CID 146411633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).