(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid

C18H16ClN2O5PS — CID 87667770

IUPAC(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid
SMILESO=P(O)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)Oc1cccnc1Cl
InChIInChI=1S/C18H16ClN2O5PS/c19-18-17(7-4-12-20-18)26-27(22,23)13-21-28(24,25)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,21H,13H2,(H,22,23)
InChIKeySDRGVIFANGNDNX-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.90
Rot. Bonds7

About (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid

(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid (PubChem CID 87667770) has the molecular formula C18H16ClN2O5PS and a molecular weight of 438.83 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid
PubChem CID87667770
Molecular FormulaC18H16ClN2O5PS
Molecular Weight438.83 g/mol
Exact Mass438.02
IUPAC Name(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid
SMILESO=P(O)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)Oc1cccnc1Cl
InChIInChI=1S/C18H16ClN2O5PS/c19-18-17(7-4-12-20-18)26-27(22,23)13-21-28(24,25)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,21H,13H2,(H,22,23)
InChIKeySDRGVIFANGNDNX-UHFFFAOYSA-N
XLogP3.90
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid?
The IUPAC name of (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid (CID 87667770) is (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid.
What is the SMILES notation for (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid?
The canonical SMILES for (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid is O=P(O)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)Oc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid?
The InChIKey is SDRGVIFANGNDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN2O5PS/c19-18-17(7-4-12-20-18)26-27(22,23)13-21-28(24,25)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,21H,13H2,(H,22,23).
What are the key properties of (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid?
(2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid has a molecular weight of 438.83 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)oxy-[[(4-phenylphenyl)sulfonylamino]methyl]phosphinic acid is sourced from PubChem (CID 87667770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).