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

C9H14BrN3O2S — CID 62665108

IUPAC5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
SMILESCCNCCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-2-11-3-4-13-16(14,15)9-5-8(10)6-12-7-9/h5-7,11,13H,2-4H2,1H3
InChIKeyVGGLJNCPSNEDEM-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.73
Rot. Bonds6

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

5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide (PubChem CID 62665108) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
PubChem CID62665108
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
SMILESCCNCCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-2-11-3-4-13-16(14,15)9-5-8(10)6-12-7-9/h5-7,11,13H,2-4H2,1H3
InChIKeyVGGLJNCPSNEDEM-UHFFFAOYSA-N
XLogP0.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
CID 120708882
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide (CID 62665108) is 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide is CCNCCNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide?
The InChIKey is VGGLJNCPSNEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-2-11-3-4-13-16(14,15)9-5-8(10)6-12-7-9/h5-7,11,13H,2-4H2,1H3.
What are the key properties of 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide?
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).