[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid

C7H8Cl2NO5PS — CID 67276344

IUPAC[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
SMILESO=P(O)(O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H8Cl2NO5PS/c8-5-1-6(9)3-7(2-5)17(14,15)10-4-16(11,12)13/h1-3,10H,4H2,(H2,11,12,13)
InChIKeyZUZALFINUCFBFX-UHFFFAOYSA-N
MW320.09 g/mol
LogP1.41
Rot. Bonds4

About [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid

[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid (PubChem CID 67276344) has the molecular formula C7H8Cl2NO5PS and a molecular weight of 320.09 g/mol. Its IUPAC name is [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid.

Molecular Properties

Compound Name[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
PubChem CID67276344
Molecular FormulaC7H8Cl2NO5PS
Molecular Weight320.09 g/mol
Exact Mass318.92
IUPAC Name[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
SMILESO=P(O)(O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H8Cl2NO5PS/c8-5-1-6(9)3-7(2-5)17(14,15)10-4-16(11,12)13/h1-3,10H,4H2,(H2,11,12,13)
InChIKeyZUZALFINUCFBFX-UHFFFAOYSA-N
XLogP1.41
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid?
The IUPAC name of [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid (CID 67276344) is [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid.
What is the SMILES notation for [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid?
The canonical SMILES for [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid is O=P(O)(O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid?
The InChIKey is ZUZALFINUCFBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2NO5PS/c8-5-1-6(9)3-7(2-5)17(14,15)10-4-16(11,12)13/h1-3,10H,4H2,(H2,11,12,13).
What are the key properties of [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid?
[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid has a molecular weight of 320.09 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid is sourced from PubChem (CID 67276344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).