N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide

C9H9NO5S — CID 118595650

IUPACN-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NO)c1cc2ccc(CO)cc2o1
InChIInChI=1S/C9H9NO5S/c11-5-6-1-2-7-4-9(15-8(7)3-6)16(13,14)10-12/h1-4,10-12H,5H2
InChIKeyAOAUCBDWPKUQNN-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.59
Rot. Bonds3

About N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide

N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide (PubChem CID 118595650) has the molecular formula C9H9NO5S and a molecular weight of 243.24 g/mol. Its IUPAC name is N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide
PubChem CID118595650
Molecular FormulaC9H9NO5S
Molecular Weight243.24 g/mol
Exact Mass243.02
IUPAC NameN-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NO)c1cc2ccc(CO)cc2o1
InChIInChI=1S/C9H9NO5S/c11-5-6-1-2-7-4-9(15-8(7)3-6)16(13,14)10-12/h1-4,10-12H,5H2
InChIKeyAOAUCBDWPKUQNN-UHFFFAOYSA-N
XLogP0.59
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide?
The IUPAC name of N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide (CID 118595650) is N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide is O=S(=O)(NO)c1cc2ccc(CO)cc2o1.
What is the InChIKey of N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide?
The InChIKey is AOAUCBDWPKUQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5S/c11-5-6-1-2-7-4-9(15-8(7)3-6)16(13,14)10-12/h1-4,10-12H,5H2.
What are the key properties of N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide?
N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide has a molecular weight of 243.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(hydroxymethyl)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 118595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).