2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate

C11H20FNO5S — CID 167650689

IUPAC2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate
SMILESCCC(C)(C)C(=O)NS(=O)(=O)CCOC(=O)C(C)F
InChIInChI=1S/C11H20FNO5S/c1-5-11(3,4)10(15)13-19(16,17)7-6-18-9(14)8(2)12/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyFQISPVHKROCMFI-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.77
Rot. Bonds7

About 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate

2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate (PubChem CID 167650689) has the molecular formula C11H20FNO5S and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate
PubChem CID167650689
Molecular FormulaC11H20FNO5S
Molecular Weight297.35 g/mol
Exact Mass297.10
IUPAC Name2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate
SMILESCCC(C)(C)C(=O)NS(=O)(=O)CCOC(=O)C(C)F
InChIInChI=1S/C11H20FNO5S/c1-5-11(3,4)10(15)13-19(16,17)7-6-18-9(14)8(2)12/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyFQISPVHKROCMFI-UHFFFAOYSA-N
XLogP0.77
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate?
The IUPAC name of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate (CID 167650689) is 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate.
What is the SMILES notation for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate?
The canonical SMILES for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate is CCC(C)(C)C(=O)NS(=O)(=O)CCOC(=O)C(C)F.
What is the InChIKey of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate?
The InChIKey is FQISPVHKROCMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO5S/c1-5-11(3,4)10(15)13-19(16,17)7-6-18-9(14)8(2)12/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate?
2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate has a molecular weight of 297.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate is sourced from PubChem (CID 167650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).