2-[(2R)-2-phenylbutyl]sulfonylpyridine

C15H17NO2S — CID 24898450

IUPAC2-[(2R)-2-phenylbutyl]sulfonylpyridine
SMILESCC[C@@H](CS(=O)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-2-13(14-8-4-3-5-9-14)12-19(17,18)15-10-6-7-11-16-15/h3-11,13H,2,12H2,1H3/t13-/m0/s1
InChIKeyVUMUZESGGBKUFP-ZDUSSCGKSA-N
MW275.37 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2R)-2-phenylbutyl]sulfonylpyridine

2-[(2R)-2-phenylbutyl]sulfonylpyridine (PubChem CID 24898450) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(2R)-2-phenylbutyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(2R)-2-phenylbutyl]sulfonylpyridine
PubChem CID24898450
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[(2R)-2-phenylbutyl]sulfonylpyridine
SMILESCC[C@@H](CS(=O)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-2-13(14-8-4-3-5-9-14)12-19(17,18)15-10-6-7-11-16-15/h3-11,13H,2,12H2,1H3/t13-/m0/s1
InChIKeyVUMUZESGGBKUFP-ZDUSSCGKSA-N
XLogP3.05
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-2-phenylbutyl]sulfonylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenylbutyl]sulfonylpyridine?
The IUPAC name of 2-[(2R)-2-phenylbutyl]sulfonylpyridine (CID 24898450) is 2-[(2R)-2-phenylbutyl]sulfonylpyridine.
What is the SMILES notation for 2-[(2R)-2-phenylbutyl]sulfonylpyridine?
The canonical SMILES for 2-[(2R)-2-phenylbutyl]sulfonylpyridine is CC[C@@H](CS(=O)(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-phenylbutyl]sulfonylpyridine?
The InChIKey is VUMUZESGGBKUFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-13(14-8-4-3-5-9-14)12-19(17,18)15-10-6-7-11-16-15/h3-11,13H,2,12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(2R)-2-phenylbutyl]sulfonylpyridine?
2-[(2R)-2-phenylbutyl]sulfonylpyridine has a molecular weight of 275.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenylbutyl]sulfonylpyridine is sourced from PubChem (CID 24898450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).