5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide

C8H11BrN2O3S2 — CID 76848572

IUPAC5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O3S2/c1-15(12)3-2-11-16(13,14)8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeyUSVLARZBAHTUGB-UHFFFAOYSA-N
MW327.23 g/mol
LogP0.50
Rot. Bonds5

About 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide

5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide (PubChem CID 76848572) has the molecular formula C8H11BrN2O3S2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
PubChem CID76848572
Molecular FormulaC8H11BrN2O3S2
Molecular Weight327.23 g/mol
Exact Mass325.94
IUPAC Name5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O3S2/c1-15(12)3-2-11-16(13,14)8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeyUSVLARZBAHTUGB-UHFFFAOYSA-N
XLogP0.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 50.50
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-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
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
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide (CID 76848572) is 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide is CS(=O)CCNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide?
The InChIKey is USVLARZBAHTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S2/c1-15(12)3-2-11-16(13,14)8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3.
What are the key properties of 5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide?
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide has a molecular weight of 327.23 g/mol, XLogP of 0.50, 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-methylsulfinylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 76848572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).