6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide

C13H11N3O3S — CID 107655271

IUPAC6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1Oc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C13H11N3O3S/c1-9-2-3-10(7-14)6-12(9)19-13-5-4-11(8-16-13)20(15,17)18/h2-6,8H,1H3,(H2,15,17,18)
InChIKeyIOFDHKJDWDHLQZ-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.70
Rot. Bonds3

About 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide

6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide (PubChem CID 107655271) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide
PubChem CID107655271
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1Oc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C13H11N3O3S/c1-9-2-3-10(7-14)6-12(9)19-13-5-4-11(8-16-13)20(15,17)18/h2-6,8H,1H3,(H2,15,17,18)
InChIKeyIOFDHKJDWDHLQZ-UHFFFAOYSA-N
XLogP1.70
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
6-(2-cyanophenoxy)pyridine-3-sulfonamide
CID 112683212
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
6-(2-fluoro-3-methylphenoxy)pyridine-3-sulfonamide
CID 107655560
3-(5-cyano-2-methylphenoxy)propane-1-sulfonamide
CID 107661811
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
6-(3,5-dimethoxyphenoxy)pyridine-3-sulfonamide
CID 115928101
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
6-(2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928047
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
3-aminooxy-4-methylbenzonitrile
CID 130500377

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide (CID 107655271) is 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide is Cc1ccc(C#N)cc1Oc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide?
The InChIKey is IOFDHKJDWDHLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-9-2-3-10(7-14)6-12(9)19-13-5-4-11(8-16-13)20(15,17)18/h2-6,8H,1H3,(H2,15,17,18).
What are the key properties of 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide?
6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 107655271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).