N-(5-bromo-2-pyridinyl)ethanesulfonamide

C7H9BrN2O2S — CID 726086

IUPACN-(5-bromo-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H9BrN2O2S/c1-2-13(11,12)10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3,(H,9,10)
InChIKeyMPACRAUDINULDD-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.61
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)ethanesulfonamide

N-(5-bromo-2-pyridinyl)ethanesulfonamide (PubChem CID 726086) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)ethanesulfonamide
PubChem CID726086
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC NameN-(5-bromo-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H9BrN2O2S/c1-2-13(11,12)10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3,(H,9,10)
InChIKeyMPACRAUDINULDD-UHFFFAOYSA-N
XLogP1.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)ethanesulfonamide (CID 726086) is N-(5-bromo-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)ethanesulfonamide?
The InChIKey is MPACRAUDINULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-2-13(11,12)10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of N-(5-bromo-2-pyridinyl)ethanesulfonamide?
N-(5-bromo-2-pyridinyl)ethanesulfonamide has a molecular weight of 265.13 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 726086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).