methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate

C11H14FNO4S — CID 59684482

IUPACmethyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H14FNO4S/c1-17-11(14)6-4-8-3-5-10(9(12)7-8)13-18(2,15)16/h3,5,7,13H,4,6H2,1-2H3
InChIKeyFGERCNNTSFMQNG-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate

methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate (PubChem CID 59684482) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate
PubChem CID59684482
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Namemethyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H14FNO4S/c1-17-11(14)6-4-8-3-5-10(9(12)7-8)13-18(2,15)16/h3,5,7,13H,4,6H2,1-2H3
InChIKeyFGERCNNTSFMQNG-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate?
The IUPAC name of methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate (CID 59684482) is methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate is COC(=O)CCc1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate?
The InChIKey is FGERCNNTSFMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-17-11(14)6-4-8-3-5-10(9(12)7-8)13-18(2,15)16/h3,5,7,13H,4,6H2,1-2H3.
What are the key properties of methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate?
methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate has a molecular weight of 275.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-fluoro-4-(methanesulfonamido)phenyl]propanoate is sourced from PubChem (CID 59684482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).