3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine

C14H12ClNO2S — CID 141461205

IUPAC3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
SMILESCc1ccc(S(=O)(=O)/C=C(/Cl)c2cccnc2)cc1
InChIInChI=1S/C14H12ClNO2S/c1-11-4-6-13(7-5-11)19(17,18)10-14(15)12-3-2-8-16-9-12/h2-10H,1H3/b14-10+
InChIKeyLMKJLACPFFRLHG-GXDHUFHOSA-N
MW293.78 g/mol
LogP3.40
Rot. Bonds3

About 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine

3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine (PubChem CID 141461205) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
PubChem CID141461205
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
SMILESCc1ccc(S(=O)(=O)/C=C(/Cl)c2cccnc2)cc1
InChIInChI=1S/C14H12ClNO2S/c1-11-4-6-13(7-5-11)19(17,18)10-14(15)12-3-2-8-16-9-12/h2-10H,1H3/b14-10+
InChIKeyLMKJLACPFFRLHG-GXDHUFHOSA-N
XLogP3.40
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine (CID 141461205) is 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine is Cc1ccc(S(=O)(=O)/C=C(/Cl)c2cccnc2)cc1.
What is the InChIKey of 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine?
The InChIKey is LMKJLACPFFRLHG-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-11-4-6-13(7-5-11)19(17,18)10-14(15)12-3-2-8-16-9-12/h2-10H,1H3/b14-10+.
What are the key properties of 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine?
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine has a molecular weight of 293.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 141461205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).