5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide

C13H22BrN3O3S — CID 63690095

IUPAC5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(CC)CCOCC
InChIInChI=1S/C13H22BrN3O3S/c1-4-15-13-12(9-11(14)10-16-13)21(18,19)17(5-2)7-8-20-6-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyJFDITRGBDQFOAM-UHFFFAOYSA-N
MW380.31 g/mol
LogP2.32
Rot. Bonds9

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

5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 63690095) has the molecular formula C13H22BrN3O3S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID63690095
Molecular FormulaC13H22BrN3O3S
Molecular Weight380.31 g/mol
Exact Mass379.06
IUPAC Name5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(CC)CCOCC
InChIInChI=1S/C13H22BrN3O3S/c1-4-15-13-12(9-11(14)10-16-13)21(18,19)17(5-2)7-8-20-6-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyJFDITRGBDQFOAM-UHFFFAOYSA-N
XLogP2.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 62158890
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191
N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)benzenesulfonamide
CID 63690094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide (CID 63690095) is 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(CC)CCOCC.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is JFDITRGBDQFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O3S/c1-4-15-13-12(9-11(14)10-16-13)21(18,19)17(5-2)7-8-20-6-3/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 380.31 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63690095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).