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

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Related Compounds

methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
CID 120874540
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 64591193
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120874947
methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 54879547
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
methyl 2-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-fluorobenzoate
CID 104858872
4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 106168698
methyl 3-amino-4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]benzoate
CID 106165680

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).