5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide

C10H15BrN2O4S — CID 113431359

IUPAC5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOCCO)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O4S/c11-9-6-10(8-12-7-9)18(15,16)13-2-1-4-17-5-3-14/h6-8,13-14H,1-5H2
InChIKeyWTAWKQFXWSSVMV-UHFFFAOYSA-N
MW339.21 g/mol
LogP0.52
Rot. Bonds8

About 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide

5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide (PubChem CID 113431359) has the molecular formula C10H15BrN2O4S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
PubChem CID113431359
Molecular FormulaC10H15BrN2O4S
Molecular Weight339.21 g/mol
Exact Mass337.99
IUPAC Name5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOCCO)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O4S/c11-9-6-10(8-12-7-9)18(15,16)13-2-1-4-17-5-3-14/h6-8,13-14H,1-5H2
InChIKeyWTAWKQFXWSSVMV-UHFFFAOYSA-N
XLogP0.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
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
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide (CID 113431359) is 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCOCCO)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide?
The InChIKey is WTAWKQFXWSSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S/c11-9-6-10(8-12-7-9)18(15,16)13-2-1-4-17-5-3-14/h6-8,13-14H,1-5H2.
What are the key properties of 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide?
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide has a molecular weight of 339.21 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113431359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).