phenyl-(4-sulfamoylphenoxy)phosphinic acid

C12H12NO5PS — CID 146160385

IUPACphenyl-(4-sulfamoylphenoxy)phosphinic acid
SMILESNS(=O)(=O)c1ccc(OP(=O)(O)c2ccccc2)cc1
InChIInChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)
InChIKeyHADGOFIYAKWMTA-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.22
Rot. Bonds4

About phenyl-(4-sulfamoylphenoxy)phosphinic acid

phenyl-(4-sulfamoylphenoxy)phosphinic acid (PubChem CID 146160385) has the molecular formula C12H12NO5PS and a molecular weight of 313.27 g/mol. Its IUPAC name is phenyl-(4-sulfamoylphenoxy)phosphinic acid.

Molecular Properties

Compound Namephenyl-(4-sulfamoylphenoxy)phosphinic acid
PubChem CID146160385
Molecular FormulaC12H12NO5PS
Molecular Weight313.27 g/mol
Exact Mass313.02
IUPAC Namephenyl-(4-sulfamoylphenoxy)phosphinic acid
SMILESNS(=O)(=O)c1ccc(OP(=O)(O)c2ccccc2)cc1
InChIInChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)
InChIKeyHADGOFIYAKWMTA-UHFFFAOYSA-N
XLogP1.22
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-sulfamoylphenoxy)phosphinic acid?
The IUPAC name of phenyl-(4-sulfamoylphenoxy)phosphinic acid (CID 146160385) is phenyl-(4-sulfamoylphenoxy)phosphinic acid.
What is the SMILES notation for phenyl-(4-sulfamoylphenoxy)phosphinic acid?
The canonical SMILES for phenyl-(4-sulfamoylphenoxy)phosphinic acid is NS(=O)(=O)c1ccc(OP(=O)(O)c2ccccc2)cc1.
What is the InChIKey of phenyl-(4-sulfamoylphenoxy)phosphinic acid?
The InChIKey is HADGOFIYAKWMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17).
What are the key properties of phenyl-(4-sulfamoylphenoxy)phosphinic acid?
phenyl-(4-sulfamoylphenoxy)phosphinic acid has a molecular weight of 313.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-sulfamoylphenoxy)phosphinic acid is sourced from PubChem (CID 146160385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).