5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide

C11H13BrN2O2S — CID 115650475

IUPAC5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O2S/c1-3-5-10(4-2)14-17(15,16)11-6-9(12)7-13-8-11/h1,6-8,10,14H,4-5H2,2H3
InChIKeyYTUXEDHJWVOQSH-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.92
Rot. Bonds5

About 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide

5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide (PubChem CID 115650475) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
PubChem CID115650475
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O2S/c1-3-5-10(4-2)14-17(15,16)11-6-9(12)7-13-8-11/h1,6-8,10,14H,4-5H2,2H3
InChIKeyYTUXEDHJWVOQSH-UHFFFAOYSA-N
XLogP1.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide
CID 55101589
2-bromo-N-hex-5-yn-3-yl-4-methylbenzenesulfonamide
CID 115650520
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
4-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650461
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
3-bromo-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62648307
3-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650571
2-fluoro-1-N-hex-5-yn-3-ylbenzene-1,4-disulfonamide
CID 115650539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide (CID 115650475) is 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide is C#CCC(CC)NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide?
The InChIKey is YTUXEDHJWVOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-3-5-10(4-2)14-17(15,16)11-6-9(12)7-13-8-11/h1,6-8,10,14H,4-5H2,2H3.
What are the key properties of 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide?
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide has a molecular weight of 317.21 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 115650475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).