5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride

C13H14Br2ClN3O5S2 — CID 161347039

IUPAC5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
SMILESCOCCNS(=O)(=O)c1cncc(Br)c1.O=S(=O)(Cl)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O3S.C5H3BrClNO2S/c1-14-3-2-11-15(12,13)8-4-7(9)5-10-6-8;6-4-1-5(3-8-2-4)11(7,9)10/h4-6,11H,2-3H2,1H3;1-3H
InChIKeyVNLDPZPKGKOZLM-UHFFFAOYSA-N
MW551.67 g/mol
LogP2.54
Rot. Bonds6

About 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride

5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride (PubChem CID 161347039) has the molecular formula C13H14Br2ClN3O5S2 and a molecular weight of 551.67 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
PubChem CID161347039
Molecular FormulaC13H14Br2ClN3O5S2
Molecular Weight551.67 g/mol
Exact Mass548.84
IUPAC Name5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
SMILESCOCCNS(=O)(=O)c1cncc(Br)c1.O=S(=O)(Cl)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O3S.C5H3BrClNO2S/c1-14-3-2-11-15(12,13)8-4-7(9)5-10-6-8;6-4-1-5(3-8-2-4)11(7,9)10/h4-6,11H,2-3H2,1H3;1-3H
InChIKeyVNLDPZPKGKOZLM-UHFFFAOYSA-N
XLogP2.54
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.67
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896
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
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride (CID 161347039) is 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride is COCCNS(=O)(=O)c1cncc(Br)c1.O=S(=O)(Cl)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride?
The InChIKey is VNLDPZPKGKOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S.C5H3BrClNO2S/c1-14-3-2-11-15(12,13)8-4-7(9)5-10-6-8;6-4-1-5(3-8-2-4)11(7,9)10/h4-6,11H,2-3H2,1H3;1-3H.
What are the key properties of 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride?
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride has a molecular weight of 551.67 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride is sourced from PubChem (CID 161347039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).