3-pyridin-2-yloxybenzenesulfonyl chloride

C11H8ClNO3S — CID 166604318

IUPAC3-pyridin-2-yloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C11H8ClNO3S/c12-17(14,15)10-5-3-4-9(8-10)16-11-6-1-2-7-13-11/h1-8H
InChIKeyZYCIPPKAXIPHSP-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.80
Rot. Bonds3

About 3-pyridin-2-yloxybenzenesulfonyl chloride

3-pyridin-2-yloxybenzenesulfonyl chloride (PubChem CID 166604318) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-pyridin-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-pyridin-2-yloxybenzenesulfonyl chloride
PubChem CID166604318
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name3-pyridin-2-yloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C11H8ClNO3S/c12-17(14,15)10-5-3-4-9(8-10)16-11-6-1-2-7-13-11/h1-8H
InChIKeyZYCIPPKAXIPHSP-UHFFFAOYSA-N
XLogP2.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 3-pyridin-2-yloxybenzenesulfonyl chloride (CID 166604318) is 3-pyridin-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 3-pyridin-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 3-pyridin-2-yloxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-yloxybenzenesulfonyl chloride?
The InChIKey is ZYCIPPKAXIPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-17(14,15)10-5-3-4-9(8-10)16-11-6-1-2-7-13-11/h1-8H.
What are the key properties of 3-pyridin-2-yloxybenzenesulfonyl chloride?
3-pyridin-2-yloxybenzenesulfonyl chloride has a molecular weight of 269.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 166604318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).