N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide

C13H13BrN2O2S — CID 766689

IUPACN-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyPXYOZAXZSSTFMG-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.21
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide

N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide (PubChem CID 766689) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide
PubChem CID766689
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyPXYOZAXZSSTFMG-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.21
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)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide (CID 766689) is N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide?
The InChIKey is PXYOZAXZSSTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-4-ethylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.21, 4 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)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 766689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).