methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate

C10H12FNO4S — CID 848215

IUPACmethyl 2-(3-fluoro-N-methylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-16-10(13)7-12(17(2,14)15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
InChIKeyDKQHIVOFEHLJPM-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate

methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate (PubChem CID 848215) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-N-methylsulfonylanilino)acetate
PubChem CID848215
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Namemethyl 2-(3-fluoro-N-methylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-16-10(13)7-12(17(2,14)15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
InChIKeyDKQHIVOFEHLJPM-UHFFFAOYSA-N
XLogP0.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate (CID 848215) is methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate is COC(=O)CN(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate?
The InChIKey is DKQHIVOFEHLJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-16-10(13)7-12(17(2,14)15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate?
methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate has a molecular weight of 261.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 848215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).