3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C13H13BrN2O2S — CID 47111104

IUPAC3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H13BrN2O2S/c1-10(11-4-3-7-15-9-11)16-19(17,18)13-6-2-5-12(14)8-13/h2-10,16H,1H3
InChIKeyOKGPAVICGQGFBA-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.88
Rot. Bonds4

About 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide

3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 47111104) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID47111104
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H13BrN2O2S/c1-10(11-4-3-7-15-9-11)16-19(17,18)13-6-2-5-12(14)8-13/h2-10,16H,1H3
InChIKeyOKGPAVICGQGFBA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3-bromo-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 55681636
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 47111104) is 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(Br)c1)c1cccnc1.
What is the InChIKey of 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is OKGPAVICGQGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-10(11-4-3-7-15-9-11)16-19(17,18)13-6-2-5-12(14)8-13/h2-10,16H,1H3.
What are the key properties of 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47111104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).