2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

C14H12ClNO3S — CID 155529557

IUPAC2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cccc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-12-5-3-6-13(10-12)20(17,18)9-8-11-4-2-7-14(15)16-11/h2-10H,1H3/b9-8+
InChIKeyDREJDVBWUOIMQT-CMDGGOBGSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155529557) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155529557
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cccc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-12-5-3-6-13(10-12)20(17,18)9-8-11-4-2-7-14(15)16-11/h2-10H,1H3/b9-8+
InChIKeyDREJDVBWUOIMQT-CMDGGOBGSA-N
XLogP3.19
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155529557) is 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2cccc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is DREJDVBWUOIMQT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-12-5-3-6-13(10-12)20(17,18)9-8-11-4-2-7-14(15)16-11/h2-10H,1H3/b9-8+.
What are the key properties of 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 309.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).