5-methoxypyridine-3-sulfonyl chloride

C6H6ClNO3S — CID 55280522

IUPAC5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H6ClNO3S/c1-11-5-2-6(4-8-3-5)12(7,9)10/h2-4H,1H3
InChIKeyMEWACWWEPVHVOM-UHFFFAOYSA-N
MW207.64 g/mol
LogP1.02
Rot. Bonds2

About 5-methoxypyridine-3-sulfonyl chloride

5-methoxypyridine-3-sulfonyl chloride (PubChem CID 55280522) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is 5-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxypyridine-3-sulfonyl chloride
PubChem CID55280522
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H6ClNO3S/c1-11-5-2-6(4-8-3-5)12(7,9)10/h2-4H,1H3
InChIKeyMEWACWWEPVHVOM-UHFFFAOYSA-N
XLogP1.02
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 5-methoxypyridine-3-sulfonyl chloride (CID 55280522) is 5-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 5-methoxypyridine-3-sulfonyl chloride is COc1cncc(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-methoxypyridine-3-sulfonyl chloride?
The InChIKey is MEWACWWEPVHVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c1-11-5-2-6(4-8-3-5)12(7,9)10/h2-4H,1H3.
What are the key properties of 5-methoxypyridine-3-sulfonyl chloride?
5-methoxypyridine-3-sulfonyl chloride has a molecular weight of 207.64 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 55280522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).