2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride

C13H12ClNO4S — CID 115928514

IUPAC2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
SMILESCOCc1cccc(Oc2ncccc2S(=O)(=O)Cl)c1
InChIInChI=1S/C13H12ClNO4S/c1-18-9-10-4-2-5-11(8-10)19-13-12(20(14,16)17)6-3-7-15-13/h2-8H,9H2,1H3
InChIKeyKQMXLWROIFIJHU-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride

2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride (PubChem CID 115928514) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
PubChem CID115928514
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
SMILESCOCc1cccc(Oc2ncccc2S(=O)(=O)Cl)c1
InChIInChI=1S/C13H12ClNO4S/c1-18-9-10-4-2-5-11(8-10)19-13-12(20(14,16)17)6-3-7-15-13/h2-8H,9H2,1H3
InChIKeyKQMXLWROIFIJHU-UHFFFAOYSA-N
XLogP2.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride (CID 115928514) is 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride is COCc1cccc(Oc2ncccc2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride?
The InChIKey is KQMXLWROIFIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-18-9-10-4-2-5-11(8-10)19-13-12(20(14,16)17)6-3-7-15-13/h2-8H,9H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride?
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride has a molecular weight of 313.76 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).