5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide

C13H21BrN2O3S — CID 71131413

IUPAC5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C13H21BrN2O3S/c1-8(2)12(9(3)4)16-20(17,18)11-6-10(14)7-15-13(11)19-5/h6-9,12,16H,1-5H3
InChIKeyBAILJBHUQYBEBZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.81
Rot. Bonds6

About 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide

5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide (PubChem CID 71131413) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
PubChem CID71131413
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C13H21BrN2O3S/c1-8(2)12(9(3)4)16-20(17,18)11-6-10(14)7-15-13(11)19-5/h6-9,12,16H,1-5H3
InChIKeyBAILJBHUQYBEBZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide (CID 71131413) is 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide is COc1ncc(Br)cc1S(=O)(=O)NC(C(C)C)C(C)C.
What is the InChIKey of 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide?
The InChIKey is BAILJBHUQYBEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-8(2)12(9(3)4)16-20(17,18)11-6-10(14)7-15-13(11)19-5/h6-9,12,16H,1-5H3.
What are the key properties of 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide?
5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 71131413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).