ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate

C9H17F2NO5S — CID 107483564

IUPACethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO5S/c1-2-17-9(14)3-6-18(15,16)12(4-5-13)7-8(10)11/h8,13H,2-7H2,1H3
InChIKeyVBRCOZNQBIVUEE-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.17
Rot. Bonds9

About ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate

ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate (PubChem CID 107483564) has the molecular formula C9H17F2NO5S and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
PubChem CID107483564
Molecular FormulaC9H17F2NO5S
Molecular Weight289.30 g/mol
Exact Mass289.08
IUPAC Nameethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO5S/c1-2-17-9(14)3-6-18(15,16)12(4-5-13)7-8(10)11/h8,13H,2-7H2,1H3
InChIKeyVBRCOZNQBIVUEE-UHFFFAOYSA-N
XLogP-0.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate (CID 107483564) is ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
The InChIKey is VBRCOZNQBIVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO5S/c1-2-17-9(14)3-6-18(15,16)12(4-5-13)7-8(10)11/h8,13H,2-7H2,1H3.
What are the key properties of ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate?
ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate has a molecular weight of 289.30 g/mol, XLogP of -0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate is sourced from PubChem (CID 107483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).