5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H17NO6S — CID 154741050

IUPAC5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCc1ccccc1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H17NO6S/c1-10-13(15(17)18)7-12(22-10)8-16-23(19,20)14-6-4-3-5-11(14)9-21-2/h3-7,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyYIXZTGYMCWCVHO-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.91
Rot. Bonds7

About 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 154741050) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID154741050
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Name5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCc1ccccc1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H17NO6S/c1-10-13(15(17)18)7-12(22-10)8-16-23(19,20)14-6-4-3-5-11(14)9-21-2/h3-7,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyYIXZTGYMCWCVHO-UHFFFAOYSA-N
XLogP1.91
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 139013810
2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
CID 114805755
5-[[(2-chlorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103232935
2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018158
2-methyl-5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]furan-3-carboxylic acid
CID 61455879
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
CID 39636523
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[(2-bromophenyl)methoxymethyl]-2-methylfuran-3-carboxylic acid
CID 82828344
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
5-[[(2-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024174
5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 166236413
2-methyl-5-[(3-phenoxypropylamino)methyl]furan-3-carboxylic acid
CID 103250015

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 154741050) is 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is COCc1ccccc1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is YIXZTGYMCWCVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c1-10-13(15(17)18)7-12(22-10)8-16-23(19,20)14-6-4-3-5-11(14)9-21-2/h3-7,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 154741050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).