3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine

C14H15NO3S — CID 1486629

IUPAC3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine
SMILESCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-9-11(2)15-14(18-3)13(10)19(16,17)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyQJHBHVUECHPVLQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.54
Rot. Bonds3

About 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine

3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine (PubChem CID 1486629) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine
PubChem CID1486629
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine
SMILESCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-9-11(2)15-14(18-3)13(10)19(16,17)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyQJHBHVUECHPVLQ-UHFFFAOYSA-N
XLogP2.54
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine?
The IUPAC name of 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine (CID 1486629) is 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine?
The canonical SMILES for 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine is COc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine?
The InChIKey is QJHBHVUECHPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-9-11(2)15-14(18-3)13(10)19(16,17)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine?
3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine has a molecular weight of 277.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine is sourced from PubChem (CID 1486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).