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

C14H14FNO5S — CID 39824514

IUPACmethyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FNO5S/c1-8-12(14(17)20-3)13(9(2)21-8)22(18,19)16-11-7-5-4-6-10(11)15/h4-7,16H,1-3H3
InChIKeyVEHZMDSMHLFTBV-UHFFFAOYSA-N
MW327.33 g/mol
LogP2.62
Rot. Bonds4

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

methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 39824514) has the molecular formula C14H14FNO5S and a molecular weight of 327.33 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID39824514
Molecular FormulaC14H14FNO5S
Molecular Weight327.33 g/mol
Exact Mass327.06
IUPAC Namemethyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FNO5S/c1-8-12(14(17)20-3)13(9(2)21-8)22(18,19)16-11-7-5-4-6-10(11)15/h4-7,16H,1-3H3
InChIKeyVEHZMDSMHLFTBV-UHFFFAOYSA-N
XLogP2.62
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 39824514) is methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is VEHZMDSMHLFTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5S/c1-8-12(14(17)20-3)13(9(2)21-8)22(18,19)16-11-7-5-4-6-10(11)15/h4-7,16H,1-3H3.
What are the key properties of methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 327.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 39824514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).