5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine

C19H17ClN2O2S — CID 174382068

IUPAC5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine
SMILESCc1ccc(-c2ncc(Cl)c(-c3ccccc3)c2S(C)(=O)=O)c(C)n1
InChIInChI=1S/C19H17ClN2O2S/c1-12-9-10-15(13(2)22-12)18-19(25(3,23)24)17(16(20)11-21-18)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyZFDFUCAFGNTVMQ-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine

5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine (PubChem CID 174382068) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine.

Molecular Properties

Compound Name5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine
PubChem CID174382068
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine
SMILESCc1ccc(-c2ncc(Cl)c(-c3ccccc3)c2S(C)(=O)=O)c(C)n1
InChIInChI=1S/C19H17ClN2O2S/c1-12-9-10-15(13(2)22-12)18-19(25(3,23)24)17(16(20)11-21-18)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyZFDFUCAFGNTVMQ-UHFFFAOYSA-N
XLogP4.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-methyl-2,4-diphenylpyridine
CID 175042905
2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
CID 54138788
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 18184550
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 170118120
5-(benzenesulfonyl)-4-(2-chlorophenyl)-2-methylpyrimidine
CID 1488342
2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164779744
4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
CID 555200
4-chloro-5-methyl-2,3-diphenylpyridine
CID 164527932
5-methyl-4-methylsulfonyl-3-phenyl-1H-pyrrole-2-carbaldehyde
CID 59987008
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine?
The IUPAC name of 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine (CID 174382068) is 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine.
What is the SMILES notation for 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine?
The canonical SMILES for 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine is Cc1ccc(-c2ncc(Cl)c(-c3ccccc3)c2S(C)(=O)=O)c(C)n1.
What is the InChIKey of 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine?
The InChIKey is ZFDFUCAFGNTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-9-10-15(13(2)22-12)18-19(25(3,23)24)17(16(20)11-21-18)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine?
5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine has a molecular weight of 372.88 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-dimethyl-3-pyridinyl)-3-methylsulfonyl-4-phenylpyridine is sourced from PubChem (CID 174382068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).