methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C11H15F2NO6S — CID 106170343

IUPACmethyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2NO6S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)14-4-11(12,13)5-15/h14-15H,4-5H2,1-3H3
InChIKeyVPQPYKKVUFXARF-UHFFFAOYSA-N
MW327.31 g/mol
LogP0.59
Rot. Bonds6

About methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 106170343) has the molecular formula C11H15F2NO6S and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID106170343
Molecular FormulaC11H15F2NO6S
Molecular Weight327.31 g/mol
Exact Mass327.06
IUPAC Namemethyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2NO6S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)14-4-11(12,13)5-15/h14-15H,4-5H2,1-3H3
InChIKeyVPQPYKKVUFXARF-UHFFFAOYSA-N
XLogP0.59
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 106170343) is methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is VPQPYKKVUFXARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO6S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)14-4-11(12,13)5-15/h14-15H,4-5H2,1-3H3.
What are the key properties of methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 327.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 106170343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).