methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate

C11H14FNO4S — CID 167842895

IUPACmethyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)F)c1ccccc1
InChIInChI=1S/C11H14FNO4S/c1-8(12)18(15,16)13-10(11(14)17-2)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
InChIKeyILLNHYHBSYJMRP-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate

methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate (PubChem CID 167842895) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate
PubChem CID167842895
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)F)c1ccccc1
InChIInChI=1S/C11H14FNO4S/c1-8(12)18(15,16)13-10(11(14)17-2)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
InChIKeyILLNHYHBSYJMRP-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(difluoromethylsulfonylamino)-2-phenylacetate
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methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
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methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
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methyl 2-phenylpropanoate;sulfuryl dichloride
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methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
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methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate (CID 167842895) is methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate is COC(=O)C(NS(=O)(=O)C(C)F)c1ccccc1.
What is the InChIKey of methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate?
The InChIKey is ILLNHYHBSYJMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8(12)18(15,16)13-10(11(14)17-2)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3.
What are the key properties of methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate?
methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate has a molecular weight of 275.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-fluoroethylsulfonylamino)-2-phenylacetate is sourced from PubChem (CID 167842895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).