5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide

C12H20BrN3O3S — CID 62163667

IUPAC5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NCCOCC
InChIInChI=1S/C12H20BrN3O3S/c1-3-5-14-12-11(8-10(13)9-15-12)20(17,18)16-6-7-19-4-2/h8-9,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyDLHOVDOYFXNWRG-UHFFFAOYSA-N
MW366.28 g/mol
LogP1.98
Rot. Bonds9

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

5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62163667) has the molecular formula C12H20BrN3O3S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62163667
Molecular FormulaC12H20BrN3O3S
Molecular Weight366.28 g/mol
Exact Mass365.04
IUPAC Name5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NCCOCC
InChIInChI=1S/C12H20BrN3O3S/c1-3-5-14-12-11(8-10(13)9-15-12)20(17,18)16-6-7-19-4-2/h8-9,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyDLHOVDOYFXNWRG-UHFFFAOYSA-N
XLogP1.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103464359
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62145613
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62158891
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide (CID 62163667) is 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)NCCOCC.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is DLHOVDOYFXNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3S/c1-3-5-14-12-11(8-10(13)9-15-12)20(17,18)16-6-7-19-4-2/h8-9,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62163667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).