3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine

C15H16ClNO2S — CID 122157862

IUPAC3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11(2)12-3-5-14(6-4-12)20(18,19)10-13-7-8-17-9-15(13)16/h3-9,11H,10H2,1-2H3
InChIKeyMYFCNPXVFXMXRD-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.83
Rot. Bonds4

About 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine

3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine (PubChem CID 122157862) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine
PubChem CID122157862
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11(2)12-3-5-14(6-4-12)20(18,19)10-13-7-8-17-9-15(13)16/h3-9,11H,10H2,1-2H3
InChIKeyMYFCNPXVFXMXRD-UHFFFAOYSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[(4-propan-2-ylphenyl)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-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine
CID 162042485
4-[(3-chloro-4-pyridinyl)methylsulfonyl]-3-methylaniline
CID 81192659
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
3-chloro-2-[(4-propan-2-ylphenyl)sulfonylmethyl]aniline
CID 63747178
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
CID 104876476
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
4-bromo-2-[(3-chloro-4-pyridinyl)methylsulfonyl]benzoic acid
CID 115382194
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine?
The IUPAC name of 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine (CID 122157862) is 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine?
The canonical SMILES for 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine is CC(C)c1ccc(S(=O)(=O)Cc2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine?
The InChIKey is MYFCNPXVFXMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11(2)12-3-5-14(6-4-12)20(18,19)10-13-7-8-17-9-15(13)16/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine?
3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine has a molecular weight of 309.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridine is sourced from PubChem (CID 122157862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).