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

C14H13NO3S — CID 155543675

IUPAC2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccccn2)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-6-4-7-14(11-13)19(16,17)10-8-12-5-2-3-9-15-12/h2-11H,1H3/b10-8+
InChIKeyIGLYNPZQRIJOBD-CSKARUKUSA-N
MW275.33 g/mol
LogP2.53
Rot. Bonds4

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

2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155543675) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155543675
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccccn2)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-6-4-7-14(11-13)19(16,17)10-8-12-5-2-3-9-15-12/h2-11H,1H3/b10-8+
InChIKeyIGLYNPZQRIJOBD-CSKARUKUSA-N
XLogP2.53
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155543675) is 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2ccccn2)c1.
What is the InChIKey of 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is IGLYNPZQRIJOBD-CSKARUKUSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-6-4-7-14(11-13)19(16,17)10-8-12-5-2-3-9-15-12/h2-11H,1H3/b10-8+.
What are the key properties of 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 275.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155543675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).