5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide

C11H12BrN3O2S — CID 103731692

IUPAC5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1cccc1)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O2S/c12-10-7-11(9-13-8-10)18(16,17)14-3-6-15-4-1-2-5-15/h1-2,4-5,7-9,14H,3,6H2
InChIKeyXSEBQSFNOBTKST-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.62
Rot. Bonds5

About 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide

5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 103731692) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
PubChem CID103731692
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1cccc1)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O2S/c12-10-7-11(9-13-8-10)18(16,17)14-3-6-15-4-1-2-5-15/h1-2,4-5,7-9,14H,3,6H2
InChIKeyXSEBQSFNOBTKST-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide (CID 103731692) is 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCCn1cccc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is XSEBQSFNOBTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c12-10-7-11(9-13-8-10)18(16,17)14-3-6-15-4-1-2-5-15/h1-2,4-5,7-9,14H,3,6H2.
What are the key properties of 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide?
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).