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

C14H12ClNO3S — CID 155566926

IUPAC3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ncccc2Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+
InChIKeyAUBJDFSTOLRORO-VQHVLOKHSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

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

3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155566926) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155566926
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ncccc2Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+
InChIKeyAUBJDFSTOLRORO-VQHVLOKHSA-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

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Related Compounds

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CID 609536
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
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2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
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3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
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3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
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3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
4-chloro-3-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 978045
3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155527259
2-chloro-6-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155529557
4-[3-[4-[(E)-2-(3-chloro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
CID 155536526
4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155537472

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155566926) is 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2ncccc2Cl)c1.
What is the InChIKey of 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is AUBJDFSTOLRORO-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+.
What are the key properties of 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
3-chloro-2-[(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 3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155566926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).