5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid

C13H12FNO5S — CID 43578509

IUPAC5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H12FNO5S/c1-15(8-9-4-2-3-5-10(9)14)21(18,19)12-7-6-11(20-12)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGISASVBHXPEOIW-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.94
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid

5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 43578509) has the molecular formula C13H12FNO5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
PubChem CID43578509
Molecular FormulaC13H12FNO5S
Molecular Weight313.31 g/mol
Exact Mass313.04
IUPAC Name5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H12FNO5S/c1-15(8-9-4-2-3-5-10(9)14)21(18,19)12-7-6-11(20-12)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGISASVBHXPEOIW-UHFFFAOYSA-N
XLogP1.94
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid (CID 43578509) is 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid is CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is GISASVBHXPEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5S/c1-15(8-9-4-2-3-5-10(9)14)21(18,19)12-7-6-11(20-12)13(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43578509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).