N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide

C9H11NO5S — CID 135211707

IUPACN-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide
SMILESCOC1=CC2OC(S(=O)(=O)NO)=CC2C=C1
InChIInChI=1S/C9H11NO5S/c1-14-7-3-2-6-4-9(15-8(6)5-7)16(12,13)10-11/h2-6,8,10-11H,1H3
InChIKeyWHUMHXBXHBWULQ-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.25
Rot. Bonds3

About N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide

N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide (PubChem CID 135211707) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide
PubChem CID135211707
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC NameN-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide
SMILESCOC1=CC2OC(S(=O)(=O)NO)=CC2C=C1
InChIInChI=1S/C9H11NO5S/c1-14-7-3-2-6-4-9(15-8(6)5-7)16(12,13)10-11/h2-6,8,10-11H,1H3
InChIKeyWHUMHXBXHBWULQ-UHFFFAOYSA-N
XLogP0.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 90345167
N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide
CID 146650292
4-Methoxy-1-(2-methylpropoxy)cyclohexa-2,4-diene-1-sulfonamide
CID 153764914
N-hydroxy-4-methoxy-7-oxabicyclo[4.3.1]deca-2,4,6(10),8-tetraene-8-sulfonamide
CID 156567058

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide?
The IUPAC name of N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide (CID 135211707) is N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide is COC1=CC2OC(S(=O)(=O)NO)=CC2C=C1.
What is the InChIKey of N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide?
The InChIKey is WHUMHXBXHBWULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-14-7-3-2-6-4-9(15-8(6)5-7)16(12,13)10-11/h2-6,8,10-11H,1H3.
What are the key properties of N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide?
N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide has a molecular weight of 245.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 135211707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).