1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine

C14H15NO2S — CID 71348390

IUPAC1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine
SMILESCc1ccc(S(=O)(=O)C=C2C=CN(C)C=C2)cc1
InChIInChI=1S/C14H15NO2S/c1-12-3-5-14(6-4-12)18(16,17)11-13-7-9-15(2)10-8-13/h3-11H,1-2H3
InChIKeyLPWIEZKLHISHCP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.63
Rot. Bonds2

About 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine

1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine (PubChem CID 71348390) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine
PubChem CID71348390
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine
SMILESCc1ccc(S(=O)(=O)C=C2C=CN(C)C=C2)cc1
InChIInChI=1S/C14H15NO2S/c1-12-3-5-14(6-4-12)18(16,17)11-13-7-9-15(2)10-8-13/h3-11H,1-2H3
InChIKeyLPWIEZKLHISHCP-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene
CID 102024705
2-(4-methylphenyl)sulfonylethenone
CID 54505790
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
4-methylbenzenesulfonic acid
CID 157221593
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine (CID 71348390) is 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine is Cc1ccc(S(=O)(=O)C=C2C=CN(C)C=C2)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine?
The InChIKey is LPWIEZKLHISHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-12-3-5-14(6-4-12)18(16,17)11-13-7-9-15(2)10-8-13/h3-11H,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine?
1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine has a molecular weight of 261.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine is sourced from PubChem (CID 71348390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).