4-[4-(benzenesulfonyl)phenyl]pyridine

C17H13NO2S — CID 119070513

IUPAC4-[4-(benzenesulfonyl)phenyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C17H13NO2S/c19-21(20,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-18-13-11-15/h1-13H
InChIKeyQPQFSIOWTBIINS-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.58
Rot. Bonds3

About 4-[4-(benzenesulfonyl)phenyl]pyridine

4-[4-(benzenesulfonyl)phenyl]pyridine (PubChem CID 119070513) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)phenyl]pyridine
PubChem CID119070513
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name4-[4-(benzenesulfonyl)phenyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C17H13NO2S/c19-21(20,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-18-13-11-15/h1-13H
InChIKeyQPQFSIOWTBIINS-UHFFFAOYSA-N
XLogP3.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(benzenesulfonyl)phenyl]pyridine 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

4-[4-(4-pyridin-4-ylphenyl)sulfonylphenyl]pyridine
CID 155923380
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
3-(benzenesulfonyl)pyridine
CID 5147032
4-phenylbenzenesulfonic acid;pyridine
CID 87942426
1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene
CID 121486129
azane;4-phenylpyridine
CID 175775455
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)phenyl]pyridine?
The IUPAC name of 4-[4-(benzenesulfonyl)phenyl]pyridine (CID 119070513) is 4-[4-(benzenesulfonyl)phenyl]pyridine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)phenyl]pyridine?
The canonical SMILES for 4-[4-(benzenesulfonyl)phenyl]pyridine is O=S(=O)(c1ccccc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)phenyl]pyridine?
The InChIKey is QPQFSIOWTBIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-21(20,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-18-13-11-15/h1-13H.
What are the key properties of 4-[4-(benzenesulfonyl)phenyl]pyridine?
4-[4-(benzenesulfonyl)phenyl]pyridine has a molecular weight of 295.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)phenyl]pyridine is sourced from PubChem (CID 119070513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).