methyl 4-(2,2-difluoroethylsulfamoyl)butanoate

C7H13F2NO4S — CID 79091133

IUPACmethyl 4-(2,2-difluoroethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO4S/c1-14-7(11)3-2-4-15(12,13)10-5-6(8)9/h6,10H,2-5H2,1H3
InChIKeyMOPRVFXNPFNZKG-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.12
Rot. Bonds7

About methyl 4-(2,2-difluoroethylsulfamoyl)butanoate

methyl 4-(2,2-difluoroethylsulfamoyl)butanoate (PubChem CID 79091133) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 4-(2,2-difluoroethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-difluoroethylsulfamoyl)butanoate
PubChem CID79091133
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Namemethyl 4-(2,2-difluoroethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO4S/c1-14-7(11)3-2-4-15(12,13)10-5-6(8)9/h6,10H,2-5H2,1H3
InChIKeyMOPRVFXNPFNZKG-UHFFFAOYSA-N
XLogP0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-difluoroethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2,2-difluoroethylsulfamoyl)butanoate (CID 79091133) is methyl 4-(2,2-difluoroethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2,2-difluoroethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2,2-difluoroethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCC(F)F.
What is the InChIKey of methyl 4-(2,2-difluoroethylsulfamoyl)butanoate?
The InChIKey is MOPRVFXNPFNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-14-7(11)3-2-4-15(12,13)10-5-6(8)9/h6,10H,2-5H2,1H3.
What are the key properties of methyl 4-(2,2-difluoroethylsulfamoyl)butanoate?
methyl 4-(2,2-difluoroethylsulfamoyl)butanoate has a molecular weight of 245.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-difluoroethylsulfamoyl)butanoate is sourced from PubChem (CID 79091133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).