methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate

C13H18FNO4S — CID 134966175

IUPACmethyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-5-7-10(14)8-6-9/h5-8,11,15H,1-4H3
InChIKeyQAMMXAUCBBYQFE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate

methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate (PubChem CID 134966175) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate
PubChem CID134966175
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Namemethyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-5-7-10(14)8-6-9/h5-8,11,15H,1-4H3
InChIKeyQAMMXAUCBBYQFE-UHFFFAOYSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate (CID 134966175) is methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate is COC(=O)C(NS(=O)(=O)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate?
The InChIKey is QAMMXAUCBBYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-5-7-10(14)8-6-9/h5-8,11,15H,1-4H3.
What are the key properties of methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate?
methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate has a molecular weight of 303.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 134966175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).