6-methoxy-4-methylpyridine-3-sulfonyl chloride

C7H8ClNO3S — CID 138987940

IUPAC6-methoxy-4-methylpyridine-3-sulfonyl chloride
SMILESCOc1cc(C)c(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO3S/c1-5-3-7(12-2)9-4-6(5)13(8,10)11/h3-4H,1-2H3
InChIKeyRXDMDKILVHLUFI-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.33
Rot. Bonds2

About 6-methoxy-4-methylpyridine-3-sulfonyl chloride

6-methoxy-4-methylpyridine-3-sulfonyl chloride (PubChem CID 138987940) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 6-methoxy-4-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methoxy-4-methylpyridine-3-sulfonyl chloride
PubChem CID138987940
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name6-methoxy-4-methylpyridine-3-sulfonyl chloride
SMILESCOc1cc(C)c(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO3S/c1-5-3-7(12-2)9-4-6(5)13(8,10)11/h3-4H,1-2H3
InChIKeyRXDMDKILVHLUFI-UHFFFAOYSA-N
XLogP1.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-methoxy-4-methylpyridine-3-sulfonyl chloride (CID 138987940) is 6-methoxy-4-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-methoxy-4-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-methoxy-4-methylpyridine-3-sulfonyl chloride is COc1cc(C)c(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-methoxy-4-methylpyridine-3-sulfonyl chloride?
The InChIKey is RXDMDKILVHLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c1-5-3-7(12-2)9-4-6(5)13(8,10)11/h3-4H,1-2H3.
What are the key properties of 6-methoxy-4-methylpyridine-3-sulfonyl chloride?
6-methoxy-4-methylpyridine-3-sulfonyl chloride has a molecular weight of 221.66 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 138987940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).