N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide

C10H11NO5S — CID 156567058

IUPACN-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide
SMILESCOC1=CC2=CC(C=C1)C=C(S(=O)(=O)NO)O2
InChIInChI=1S/C10H11NO5S/c1-15-8-3-2-7-4-9(6-8)16-10(5-7)17(13,14)11-12/h2-7,11-12H,1H3
InChIKeyCAAZMYJTAWGMIR-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.77
Rot. Bonds3

About N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide

N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide (PubChem CID 156567058) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide
PubChem CID156567058
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC NameN-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide
SMILESCOC1=CC2=CC(C=C1)C=C(S(=O)(=O)NO)O2
InChIInChI=1S/C10H11NO5S/c1-15-8-3-2-7-4-9(6-8)16-10(5-7)17(13,14)11-12/h2-7,11-12H,1H3
InChIKeyCAAZMYJTAWGMIR-UHFFFAOYSA-N
XLogP0.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide?
The IUPAC name of N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide (CID 156567058) is N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide.
What is the SMILES notation for N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide?
The canonical SMILES for N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide is COC1=CC2=CC(C=C1)C=C(S(=O)(=O)NO)O2.
What is the InChIKey of N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide?
The InChIKey is CAAZMYJTAWGMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-15-8-3-2-7-4-9(6-8)16-10(5-7)17(13,14)11-12/h2-7,11-12H,1H3.
What are the key properties of N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide?
N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide has a molecular weight of 257.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide is sourced from PubChem (CID 156567058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).