N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide

C8H9NO4S — CID 146650292

IUPACN-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NO)c1cc2c(o1)=CCCC=2
InChIInChI=1S/C8H9NO4S/c10-9-14(11,12)8-5-6-3-1-2-4-7(6)13-8/h3-5,9-10H,1-2H2
InChIKeyUHYTWTOQMYEJRR-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.70
Rot. Bonds2

About N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide

N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide (PubChem CID 146650292) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide
PubChem CID146650292
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC NameN-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NO)c1cc2c(o1)=CCCC=2
InChIInChI=1S/C8H9NO4S/c10-9-14(11,12)8-5-6-3-1-2-4-7(6)13-8/h3-5,9-10H,1-2H2
InChIKeyUHYTWTOQMYEJRR-UHFFFAOYSA-N
XLogP-0.70
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5,6-dihydro-1-benzofuran-2-sulfonamide?
The IUPAC name of N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide (CID 146650292) is N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide is O=S(=O)(NO)c1cc2c(o1)=CCCC=2.
What is the InChIKey of N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide?
The InChIKey is UHYTWTOQMYEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c10-9-14(11,12)8-5-6-3-1-2-4-7(6)13-8/h3-5,9-10H,1-2H2.
What are the key properties of N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide?
N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide has a molecular weight of 215.23 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5,6-dihydro-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 146650292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).