5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide

C14H24BrN3O2S — CID 106027676

IUPAC5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C14H24BrN3O2S/c1-4-6-8-12(7-5-2)18-21(19,20)13-9-11(15)10-17-14(13)16-3/h9-10,12,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyZMRYYTIVZDXLJP-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.52
Rot. Bonds9

About 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide (PubChem CID 106027676) has the molecular formula C14H24BrN3O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
PubChem CID106027676
Molecular FormulaC14H24BrN3O2S
Molecular Weight378.34 g/mol
Exact Mass377.08
IUPAC Name5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C14H24BrN3O2S/c1-4-6-8-12(7-5-2)18-21(19,20)13-9-11(15)10-17-14(13)16-3/h9-10,12,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyZMRYYTIVZDXLJP-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-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-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106283477
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide (CID 106027676) is 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide?
The InChIKey is ZMRYYTIVZDXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2S/c1-4-6-8-12(7-5-2)18-21(19,20)13-9-11(15)10-17-14(13)16-3/h9-10,12,18H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106027676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).