4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C13H13BrN2O2S — CID 823268

IUPAC4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyWNSXFLOHQPLCEQ-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.37
Rot. Bonds5

About 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 823268) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID823268
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyWNSXFLOHQPLCEQ-UHFFFAOYSA-N
XLogP2.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 823268) is 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is WNSXFLOHQPLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2.
What are the key properties of 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 823268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).