furan-2-yloxysulfamic acid

C4H5NO5S — CID 141225555

IUPACfuran-2-yloxysulfamic acid
SMILESO=S(=O)(O)NOc1ccco1
InChIInChI=1S/C4H5NO5S/c6-11(7,8)5-10-4-2-1-3-9-4/h1-3,5H,(H,6,7,8)
InChIKeyBTXFVMXDCAMDCD-UHFFFAOYSA-N
MW179.15 g/mol
LogP-0.03
Rot. Bonds3

About furan-2-yloxysulfamic acid

furan-2-yloxysulfamic acid (PubChem CID 141225555) has the molecular formula C4H5NO5S and a molecular weight of 179.15 g/mol. Its IUPAC name is furan-2-yloxysulfamic acid.

Molecular Properties

Compound Namefuran-2-yloxysulfamic acid
PubChem CID141225555
Molecular FormulaC4H5NO5S
Molecular Weight179.15 g/mol
Exact Mass178.99
IUPAC Namefuran-2-yloxysulfamic acid
SMILESO=S(=O)(O)NOc1ccco1
InChIInChI=1S/C4H5NO5S/c6-11(7,8)5-10-4-2-1-3-9-4/h1-3,5H,(H,6,7,8)
InChIKeyBTXFVMXDCAMDCD-UHFFFAOYSA-N
XLogP-0.03
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-yloxysulfamic acid?
The IUPAC name of furan-2-yloxysulfamic acid (CID 141225555) is furan-2-yloxysulfamic acid.
What is the SMILES notation for furan-2-yloxysulfamic acid?
The canonical SMILES for furan-2-yloxysulfamic acid is O=S(=O)(O)NOc1ccco1.
What is the InChIKey of furan-2-yloxysulfamic acid?
The InChIKey is BTXFVMXDCAMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5S/c6-11(7,8)5-10-4-2-1-3-9-4/h1-3,5H,(H,6,7,8).
What are the key properties of furan-2-yloxysulfamic acid?
furan-2-yloxysulfamic acid has a molecular weight of 179.15 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yloxysulfamic acid is sourced from PubChem (CID 141225555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).