1-benzofuran;sulfamic acid

C8H9NO4S — CID 70525210

IUPAC1-benzofuran;sulfamic acid
SMILESNS(=O)(=O)O.c1ccc2occc2c1
InChIInChI=1S/C8H6O.H3NO3S/c1-2-4-8-7(3-1)5-6-9-8;1-5(2,3)4/h1-6H;(H3,1,2,3,4)
InChIKeyVAJFOBZYAGAKON-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.18
Rot. Bonds

About 1-benzofuran;sulfamic acid

1-benzofuran;sulfamic acid (PubChem CID 70525210) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-benzofuran;sulfamic acid.

Molecular Properties

Compound Name1-benzofuran;sulfamic acid
PubChem CID70525210
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name1-benzofuran;sulfamic acid
SMILESNS(=O)(=O)O.c1ccc2occc2c1
InChIInChI=1S/C8H6O.H3NO3S/c1-2-4-8-7(3-1)5-6-9-8;1-5(2,3)4/h1-6H;(H3,1,2,3,4)
InChIKeyVAJFOBZYAGAKON-UHFFFAOYSA-N
XLogP1.18
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;sulfamic acid?
The IUPAC name of 1-benzofuran;sulfamic acid (CID 70525210) is 1-benzofuran;sulfamic acid.
What is the SMILES notation for 1-benzofuran;sulfamic acid?
The canonical SMILES for 1-benzofuran;sulfamic acid is NS(=O)(=O)O.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;sulfamic acid?
The InChIKey is VAJFOBZYAGAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.H3NO3S/c1-2-4-8-7(3-1)5-6-9-8;1-5(2,3)4/h1-6H;(H3,1,2,3,4).
What are the key properties of 1-benzofuran;sulfamic acid?
1-benzofuran;sulfamic acid has a molecular weight of 215.23 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;sulfamic acid is sourced from PubChem (CID 70525210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).