5,6-dimethoxypyridine-3-sulfonyl chloride

C7H8ClNO4S — CID 117273803

IUPAC5,6-dimethoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cnc1OC
InChIInChI=1S/C7H8ClNO4S/c1-12-6-3-5(14(8,10)11)4-9-7(6)13-2/h3-4H,1-2H3
InChIKeyGTDSOJOLVGHRSM-UHFFFAOYSA-N
MW237.66 g/mol
LogP1.03
Rot. Bonds3

About 5,6-dimethoxypyridine-3-sulfonyl chloride

5,6-dimethoxypyridine-3-sulfonyl chloride (PubChem CID 117273803) has the molecular formula C7H8ClNO4S and a molecular weight of 237.66 g/mol. Its IUPAC name is 5,6-dimethoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5,6-dimethoxypyridine-3-sulfonyl chloride
PubChem CID117273803
Molecular FormulaC7H8ClNO4S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name5,6-dimethoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cnc1OC
InChIInChI=1S/C7H8ClNO4S/c1-12-6-3-5(14(8,10)11)4-9-7(6)13-2/h3-4H,1-2H3
InChIKeyGTDSOJOLVGHRSM-UHFFFAOYSA-N
XLogP1.03
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethoxypyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxypyridine-3-sulfonyl chloride?
The IUPAC name of 5,6-dimethoxypyridine-3-sulfonyl chloride (CID 117273803) is 5,6-dimethoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 5,6-dimethoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 5,6-dimethoxypyridine-3-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)cnc1OC.
What is the InChIKey of 5,6-dimethoxypyridine-3-sulfonyl chloride?
The InChIKey is GTDSOJOLVGHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S/c1-12-6-3-5(14(8,10)11)4-9-7(6)13-2/h3-4H,1-2H3.
What are the key properties of 5,6-dimethoxypyridine-3-sulfonyl chloride?
5,6-dimethoxypyridine-3-sulfonyl chloride has a molecular weight of 237.66 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 117273803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).