N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide

C11H15BrN2O3S — CID 79729960

IUPACN-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCOCC2)ncc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-8-6-11(13-7-10(8)12)14-18(15,16)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyJXZGSDXXJKTXMV-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.07
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide (PubChem CID 79729960) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
PubChem CID79729960
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCOCC2)ncc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-8-6-11(13-7-10(8)12)14-18(15,16)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyJXZGSDXXJKTXMV-UHFFFAOYSA-N
XLogP2.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)piperidine-3-sulfonamide
CID 79730057
N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
CID 102820673
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563
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-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide (CID 79729960) is N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide is Cc1cc(NS(=O)(=O)C2CCOCC2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide?
The InChIKey is JXZGSDXXJKTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8-6-11(13-7-10(8)12)14-18(15,16)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide has a molecular weight of 335.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide is sourced from PubChem (CID 79729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).