5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid

C13H13NO5S — CID 3387109

IUPAC5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H13NO5S/c1-14(9-10-5-3-2-4-6-10)20(17,18)12-8-7-11(19-12)13(15)16/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYIDFSWHSVLWWEK-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.80
Rot. Bonds5

About 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid

5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 3387109) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID3387109
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H13NO5S/c1-14(9-10-5-3-2-4-6-10)20(17,18)12-8-7-11(19-12)13(15)16/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYIDFSWHSVLWWEK-UHFFFAOYSA-N
XLogP1.80
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 3387109) is 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is YIDFSWHSVLWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-14(9-10-5-3-2-4-6-10)20(17,18)12-8-7-11(19-12)13(15)16/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 3387109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).