N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide

C10H13NO5S — CID 139815678

IUPACN-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide
SMILESCOc1cc(O)c2c(c1)OCC2NS(C)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-15-6-3-8(12)10-7(11-17(2,13)14)5-16-9(10)4-6/h3-4,7,11-12H,5H2,1-2H3
InChIKeyFEEZQOUGEPFJJF-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.38
Rot. Bonds3

About N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide

N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide (PubChem CID 139815678) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide
PubChem CID139815678
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC NameN-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide
SMILESCOc1cc(O)c2c(c1)OCC2NS(C)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-15-6-3-8(12)10-7(11-17(2,13)14)5-16-9(10)4-6/h3-4,7,11-12H,5H2,1-2H3
InChIKeyFEEZQOUGEPFJJF-UHFFFAOYSA-N
XLogP0.38
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide?
The IUPAC name of N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide (CID 139815678) is N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide is COc1cc(O)c2c(c1)OCC2NS(C)(=O)=O.
What is the InChIKey of N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide?
The InChIKey is FEEZQOUGEPFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-6-3-8(12)10-7(11-17(2,13)14)5-16-9(10)4-6/h3-4,7,11-12H,5H2,1-2H3.
What are the key properties of N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide?
N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide has a molecular weight of 259.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide is sourced from PubChem (CID 139815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).