3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

C13H10ClNO2S — CID 162644386

IUPAC3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO2S/c14-12-4-1-5-13(9-12)18(16,17)8-6-11-3-2-7-15-10-11/h1-10H/b8-6+
InChIKeyQLMPHRFAIWDWBZ-SOFGYWHQSA-N
MW279.75 g/mol
LogP3.18
Rot. Bonds3

About 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162644386) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162644386
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO2S/c14-12-4-1-5-13(9-12)18(16,17)8-6-11-3-2-7-15-10-11/h1-10H/b8-6+
InChIKeyQLMPHRFAIWDWBZ-SOFGYWHQSA-N
XLogP3.18
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (CID 162644386) is 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is QLMPHRFAIWDWBZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-12-4-1-5-13(9-12)18(16,17)8-6-11-3-2-7-15-10-11/h1-10H/b8-6+.
What are the key properties of 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 279.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162644386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).