N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide

C8H11BrN2O3S — CID 79729788

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCO)ncc1Br
InChIInChI=1S/C8H11BrN2O3S/c1-6-4-8(10-5-7(6)9)11-15(13,14)3-2-12/h4-5,12H,2-3H2,1H3,(H,10,11)
InChIKeyGQFKGBUQIKOBJC-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.89
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide (PubChem CID 79729788) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
PubChem CID79729788
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCO)ncc1Br
InChIInChI=1S/C8H11BrN2O3S/c1-6-4-8(10-5-7(6)9)11-15(13,14)3-2-12/h4-5,12H,2-3H2,1H3,(H,10,11)
InChIKeyGQFKGBUQIKOBJC-UHFFFAOYSA-N
XLogP0.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231
methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 79734705
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
CID 54952595
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106070818
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide (CID 79729788) is N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide is Cc1cc(NS(=O)(=O)CCO)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide?
The InChIKey is GQFKGBUQIKOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c1-6-4-8(10-5-7(6)9)11-15(13,14)3-2-12/h4-5,12H,2-3H2,1H3,(H,10,11).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79729788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).