4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine

C14H15NO2S — CID 91652487

IUPAC4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
SMILESCc1ccc(C)c(S(=O)(=O)Cc2ccncc2)c1
InChIInChI=1S/C14H15NO2S/c1-11-3-4-12(2)14(9-11)18(16,17)10-13-5-7-15-8-6-13/h3-9H,10H2,1-2H3
InChIKeyIFSSOXGFXQXKIL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds3

About 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine

4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine (PubChem CID 91652487) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
PubChem CID91652487
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
SMILESCc1ccc(C)c(S(=O)(=O)Cc2ccncc2)c1
InChIInChI=1S/C14H15NO2S/c1-11-3-4-12(2)14(9-11)18(16,17)10-13-5-7-15-8-6-13/h3-9H,10H2,1-2H3
InChIKeyIFSSOXGFXQXKIL-UHFFFAOYSA-N
XLogP2.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2,5-dimethylphenyl)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

3-[(2,5-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 60731180
[3-chloro-4-[(2,5-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670575
[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698793
4-methyl-3-(pyridin-3-ylmethylsulfonyl)aniline
CID 81191026
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
2-[(4-bromophenyl)methylsulfonyl]-4-methylaniline
CID 81183054
[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol
CID 110004753
3-benzylsulfonyl-N,N,4-trimethylaniline
CID 20704883
4-bromo-2-(pyridin-4-ylmethylsulfonyl)aniline
CID 81207747
3-(2,5-dimethylphenyl)sulfonyl-2,2-dimethylpropan-1-ol
CID 116853098
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
CID 64640442
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-one
CID 64643299

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine (CID 91652487) is 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine is Cc1ccc(C)c(S(=O)(=O)Cc2ccncc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine?
The InChIKey is IFSSOXGFXQXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-3-4-12(2)14(9-11)18(16,17)10-13-5-7-15-8-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine?
4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine has a molecular weight of 261.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine is sourced from PubChem (CID 91652487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).