5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride

C5H3BrCl5N2O2PS — CID 165133627

IUPAC5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cnc1NP(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C5H3BrCl5N2O2PS/c6-3-1-4(17(11,14)15)5(12-2-3)13-16(7,8,9)10/h1-2H,(H,12,13)
InChIKeyIYOGDQYKNOSIHZ-UHFFFAOYSA-N
MW443.30 g/mol
LogP5.27
Rot. Bonds3

About 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride

5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride (PubChem CID 165133627) has the molecular formula C5H3BrCl5N2O2PS and a molecular weight of 443.30 g/mol. Its IUPAC name is 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride
PubChem CID165133627
Molecular FormulaC5H3BrCl5N2O2PS
Molecular Weight443.30 g/mol
Exact Mass439.73
IUPAC Name5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cnc1NP(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C5H3BrCl5N2O2PS/c6-3-1-4(17(11,14)15)5(12-2-3)13-16(7,8,9)10/h1-2H,(H,12,13)
InChIKeyIYOGDQYKNOSIHZ-UHFFFAOYSA-N
XLogP5.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
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 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride?
The IUPAC name of 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride (CID 165133627) is 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cnc1NP(Cl)(Cl)(Cl)Cl.
What is the InChIKey of 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride?
The InChIKey is IYOGDQYKNOSIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrCl5N2O2PS/c6-3-1-4(17(11,14)15)5(12-2-3)13-16(7,8,9)10/h1-2H,(H,12,13).
What are the key properties of 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride?
5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride has a molecular weight of 443.30 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride is sourced from PubChem (CID 165133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).