4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide

C10H11Cl2NO3S — CID 139300659

IUPAC4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C10H11Cl2NO3S/c11-9-5-8(6-10(12)13-9)16-7-1-3-17(14,15)4-2-7/h5-7H,1-4H2
InChIKeyIFRKRMFQPLTUOX-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.34
Rot. Bonds2

About 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide

4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide (PubChem CID 139300659) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide
PubChem CID139300659
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C10H11Cl2NO3S/c11-9-5-8(6-10(12)13-9)16-7-1-3-17(14,15)4-2-7/h5-7H,1-4H2
InChIKeyIFRKRMFQPLTUOX-UHFFFAOYSA-N
XLogP2.34
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide?
The IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide (CID 139300659) is 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide?
The canonical SMILES for 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide is O=S1(=O)CCC(Oc2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide?
The InChIKey is IFRKRMFQPLTUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c11-9-5-8(6-10(12)13-9)16-7-1-3-17(14,15)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide?
4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide has a molecular weight of 296.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide is sourced from PubChem (CID 139300659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).