3-[(4-methylphenyl)sulfonylmethyl]pyridine

C13H13NO2S — CID 14062684

IUPAC3-[(4-methylphenyl)sulfonylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cccnc2)cc1
InChIInChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3
InChIKeyAWOCCKKXKZBJRA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.36
Rot. Bonds3

About 3-[(4-methylphenyl)sulfonylmethyl]pyridine

3-[(4-methylphenyl)sulfonylmethyl]pyridine (PubChem CID 14062684) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylmethyl]pyridine
PubChem CID14062684
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-[(4-methylphenyl)sulfonylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cccnc2)cc1
InChIInChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3
InChIKeyAWOCCKKXKZBJRA-UHFFFAOYSA-N
XLogP2.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methylphenyl)sulfonylmethyl]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-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-[(4-methylphenyl)sulfonylmethyl]aniline
CID 43382291
4-methyl-3-(pyridin-3-ylmethylsulfonyl)aniline
CID 81191026
1-ethyl-3-[[4-(4-methylphenyl)phenyl]sulfonylmethyl]benzene
CID 157421364
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
ethyl pyridin-3-ylmethanesulfonate
CID 174906539
1-[4-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 147347954
ethyl 3-(4-ethylphenyl)-6-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684797

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?
The IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]pyridine (CID 14062684) is 3-[(4-methylphenyl)sulfonylmethyl]pyridine.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylmethyl]pyridine?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylmethyl]pyridine is Cc1ccc(S(=O)(=O)Cc2cccnc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?
The InChIKey is AWOCCKKXKZBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?
3-[(4-methylphenyl)sulfonylmethyl]pyridine has a molecular weight of 247.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylmethyl]pyridine is sourced from PubChem (CID 14062684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).