5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid

C15H15NO6S — CID 166236413

IUPAC5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2ccc3c(c2)OCC3)cc1C(=O)O
InChIInChI=1S/C15H15NO6S/c1-9-13(15(17)18)6-11(22-9)8-16-23(19,20)12-3-2-10-4-5-21-14(10)7-12/h2-3,6-7,16H,4-5,8H2,1H3,(H,17,18)
InChIKeyCYRYPEBNDPBZPA-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.70
Rot. Bonds5

About 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 166236413) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID166236413
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2ccc3c(c2)OCC3)cc1C(=O)O
InChIInChI=1S/C15H15NO6S/c1-9-13(15(17)18)6-11(22-9)8-16-23(19,20)12-3-2-10-4-5-21-14(10)7-12/h2-3,6-7,16H,4-5,8H2,1H3,(H,17,18)
InChIKeyCYRYPEBNDPBZPA-UHFFFAOYSA-N
XLogP1.70
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.70
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
2-methyl-5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]furan-3-carboxylic acid
CID 61455879
5-[[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 126786926
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095349
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113095346
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 166236413) is 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNS(=O)(=O)c2ccc3c(c2)OCC3)cc1C(=O)O.
What is the InChIKey of 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CYRYPEBNDPBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-9-13(15(17)18)6-11(22-9)8-16-23(19,20)12-3-2-10-4-5-21-14(10)7-12/h2-3,6-7,16H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 166236413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).