5-bromo-N-ethoxypyridine-3-sulfonamide

C7H9BrN2O3S — CID 64973872

IUPAC5-bromo-N-ethoxypyridine-3-sulfonamide
SMILESCCONS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O3S/c1-2-13-10-14(11,12)7-3-6(8)4-9-5-7/h3-5,10H,2H2,1H3
InChIKeyVADLDXXVQFVXQU-UHFFFAOYSA-N
MW281.13 g/mol
LogP1.07
Rot. Bonds4

About 5-bromo-N-ethoxypyridine-3-sulfonamide

5-bromo-N-ethoxypyridine-3-sulfonamide (PubChem CID 64973872) has the molecular formula C7H9BrN2O3S and a molecular weight of 281.13 g/mol. Its IUPAC name is 5-bromo-N-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethoxypyridine-3-sulfonamide
PubChem CID64973872
Molecular FormulaC7H9BrN2O3S
Molecular Weight281.13 g/mol
Exact Mass279.95
IUPAC Name5-bromo-N-ethoxypyridine-3-sulfonamide
SMILESCCONS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O3S/c1-2-13-10-14(11,12)7-3-6(8)4-9-5-7/h3-5,10H,2H2,1H3
InChIKeyVADLDXXVQFVXQU-UHFFFAOYSA-N
XLogP1.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-phenylmethoxypyridine-3-sulfonamide
CID 64973868
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethoxypyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-ethoxypyridine-3-sulfonamide (CID 64973872) is 5-bromo-N-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethoxypyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-ethoxypyridine-3-sulfonamide is CCONS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-ethoxypyridine-3-sulfonamide?
The InChIKey is VADLDXXVQFVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3S/c1-2-13-10-14(11,12)7-3-6(8)4-9-5-7/h3-5,10H,2H2,1H3.
What are the key properties of 5-bromo-N-ethoxypyridine-3-sulfonamide?
5-bromo-N-ethoxypyridine-3-sulfonamide has a molecular weight of 281.13 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 64973872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).