5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid

C15H15NO6S — CID 139013810

IUPAC5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2cccc3c2OCC3)cc1C(=O)O
InChIInChI=1S/C15H15NO6S/c1-9-12(15(17)18)7-11(22-9)8-16-23(19,20)13-4-2-3-10-5-6-21-14(10)13/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyQOYUPCPNOGLVRN-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.70
Rot. Bonds5

About 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 139013810) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID139013810
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2cccc3c2OCC3)cc1C(=O)O
InChIInChI=1S/C15H15NO6S/c1-9-12(15(17)18)7-11(22-9)8-16-23(19,20)13-4-2-3-10-5-6-21-14(10)13/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyQOYUPCPNOGLVRN-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-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 166236413
5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154741050
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 167819030
2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
CID 114805755
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126821064
2-methyl-5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]furan-3-carboxylic acid
CID 61455879
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289
3-(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
CID 154865108
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233603
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
5-[[[4-(tert-butylsulfamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226308
5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62306705

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 139013810) is 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNS(=O)(=O)c2cccc3c2OCC3)cc1C(=O)O.
What is the InChIKey of 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is QOYUPCPNOGLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-9-12(15(17)18)7-11(22-9)8-16-23(19,20)13-4-2-3-10-5-6-21-14(10)13/h2-4,7,16H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2,3-dihydro-1-benzofuran-7-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-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 139013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).