5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide

C10H15BrN2O3S — CID 107319453

IUPAC5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c11-9-6-10(8-12-7-9)17(15,16)13-4-2-1-3-5-14/h6-8,13-14H,1-5H2
InChIKeyIRMCRLMEWWLTSD-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.28
Rot. Bonds7

About 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide

5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide (PubChem CID 107319453) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
PubChem CID107319453
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c11-9-6-10(8-12-7-9)17(15,16)13-4-2-1-3-5-14/h6-8,13-14H,1-5H2
InChIKeyIRMCRLMEWWLTSD-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.28
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

5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313388
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide (CID 107319453) is 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide is O=S(=O)(NCCCCCO)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide?
The InChIKey is IRMCRLMEWWLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c11-9-6-10(8-12-7-9)17(15,16)13-4-2-1-3-5-14/h6-8,13-14H,1-5H2.
What are the key properties of 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide?
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107319453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).