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

Related Compounds

5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 160805742
5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
CID 126832864
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 67981970
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-4-methylpentanoate
CID 61060736
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
CID 126518732
5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
CID 158233304
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485

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).