5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide

C13H20BrN3O3S — CID 82729058

IUPAC5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H20BrN3O3S/c1-3-5-15-13-12(7-10(14)8-16-13)21(18,19)17-11-4-6-20-9(11)2/h7-9,11,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyZCJLEKZDCRAQSJ-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.12
Rot. Bonds6

About 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 82729058) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID82729058
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H20BrN3O3S/c1-3-5-15-13-12(7-10(14)8-16-13)21(18,19)17-11-4-6-20-9(11)2/h7-9,11,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyZCJLEKZDCRAQSJ-UHFFFAOYSA-N
XLogP2.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)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

N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103464359
5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62163667
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62145613
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
5-bromo-N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63963344

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide (CID 82729058) is 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is ZCJLEKZDCRAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-3-5-15-13-12(7-10(14)8-16-13)21(18,19)17-11-4-6-20-9(11)2/h7-9,11,17H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 82729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).