2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide

C14H15BrN2O3S — CID 115928526

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
SMILESCC(C)c1cc(Br)ccc1Oc1ncccc1S(N)(=O)=O
InChIInChI=1S/C14H15BrN2O3S/c1-9(2)11-8-10(15)5-6-12(11)20-14-13(21(16,18)19)4-3-7-17-14/h3-9H,1-2H3,(H2,16,18,19)
InChIKeyGUTIPXLNESQMQD-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide

2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide (PubChem CID 115928526) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
PubChem CID115928526
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
SMILESCC(C)c1cc(Br)ccc1Oc1ncccc1S(N)(=O)=O
InChIInChI=1S/C14H15BrN2O3S/c1-9(2)11-8-10(15)5-6-12(11)20-14-13(21(16,18)19)4-3-7-17-14/h3-9H,1-2H3,(H2,16,18,19)
InChIKeyGUTIPXLNESQMQD-UHFFFAOYSA-N
XLogP3.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
CID 115928434
2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572968
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
CID 112572887
2-(4-cyano-2-methoxyphenoxy)pyridine-3-sulfonamide
CID 115928413
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
2-(3-bromo-4-fluorophenoxy)pyridine-3-sulfonamide
CID 112573154
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-sulfonamide
CID 112573090
3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 115402309
2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide (CID 115928526) is 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide is CC(C)c1cc(Br)ccc1Oc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide?
The InChIKey is GUTIPXLNESQMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9(2)11-8-10(15)5-6-12(11)20-14-13(21(16,18)19)4-3-7-17-14/h3-9H,1-2H3,(H2,16,18,19).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide?
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 115928526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).