methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate

C8H15F2NO5S — CID 107483690

IUPACmethyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO5S/c1-6(8(13)16-2)17(14,15)11(3-4-12)5-7(9)10/h6-7,12H,3-5H2,1-2H3
InChIKeyIJHBSJVEAIOSJF-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.56
Rot. Bonds7

About methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate

methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate (PubChem CID 107483690) has the molecular formula C8H15F2NO5S and a molecular weight of 275.27 g/mol. Its IUPAC name is methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
PubChem CID107483690
Molecular FormulaC8H15F2NO5S
Molecular Weight275.27 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO5S/c1-6(8(13)16-2)17(14,15)11(3-4-12)5-7(9)10/h6-7,12H,3-5H2,1-2H3
InChIKeyIJHBSJVEAIOSJF-UHFFFAOYSA-N
XLogP-0.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate (CID 107483690) is methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The InChIKey is IJHBSJVEAIOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO5S/c1-6(8(13)16-2)17(14,15)11(3-4-12)5-7(9)10/h6-7,12H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate has a molecular weight of 275.27 g/mol, XLogP of -0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate is sourced from PubChem (CID 107483690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).