(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid

C11H11ClN3O5PS — CID 87667580

IUPAC(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid
SMILESO=P(O)(CNS(=O)(=O)c1ccccn1)Oc1cccnc1Cl
InChIInChI=1S/C11H11ClN3O5PS/c12-11-9(4-3-7-14-11)20-21(16,17)8-15-22(18,19)10-5-1-2-6-13-10/h1-7,15H,8H2,(H,16,17)
InChIKeyRADHHQKPWRUDHI-UHFFFAOYSA-N
MW363.72 g/mol
LogP1.63
Rot. Bonds6

About (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid

(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid (PubChem CID 87667580) has the molecular formula C11H11ClN3O5PS and a molecular weight of 363.72 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid
PubChem CID87667580
Molecular FormulaC11H11ClN3O5PS
Molecular Weight363.72 g/mol
Exact Mass362.98
IUPAC Name(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid
SMILESO=P(O)(CNS(=O)(=O)c1ccccn1)Oc1cccnc1Cl
InChIInChI=1S/C11H11ClN3O5PS/c12-11-9(4-3-7-14-11)20-21(16,17)8-15-22(18,19)10-5-1-2-6-13-10/h1-7,15H,8H2,(H,16,17)
InChIKeyRADHHQKPWRUDHI-UHFFFAOYSA-N
XLogP1.63
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid?
The IUPAC name of (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid (CID 87667580) is (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid.
What is the SMILES notation for (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid?
The canonical SMILES for (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid is O=P(O)(CNS(=O)(=O)c1ccccn1)Oc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid?
The InChIKey is RADHHQKPWRUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN3O5PS/c12-11-9(4-3-7-14-11)20-21(16,17)8-15-22(18,19)10-5-1-2-6-13-10/h1-7,15H,8H2,(H,16,17).
What are the key properties of (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid?
(2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid has a molecular weight of 363.72 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)oxy-[(pyridin-2-ylsulfonylamino)methyl]phosphinic acid is sourced from PubChem (CID 87667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).