2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide

C13H14N2O3S — CID 112572887

IUPAC2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
SMILESCc1ccc(C)c(Oc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-10(2)11(8-9)18-13-12(19(14,16)17)4-3-7-15-13/h3-8H,1-2H3,(H2,14,16,17)
InChIKeyFSFZVKXBTSWOOX-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.14
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide

2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide (PubChem CID 112572887) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
PubChem CID112572887
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
SMILESCc1ccc(C)c(Oc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-10(2)11(8-9)18-13-12(19(14,16)17)4-3-7-15-13/h3-8H,1-2H3,(H2,14,16,17)
InChIKeyFSFZVKXBTSWOOX-UHFFFAOYSA-N
XLogP2.14
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide (CID 112572887) is 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide is Cc1ccc(C)c(Oc2ncccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide?
The InChIKey is FSFZVKXBTSWOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-5-6-10(2)11(8-9)18-13-12(19(14,16)17)4-3-7-15-13/h3-8H,1-2H3,(H2,14,16,17).
What are the key properties of 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide?
2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 112572887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).