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

C14H12ClNO3S — CID 155564048

IUPAC5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccc(Cl)cn2)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-3-2-4-14(9-13)20(17,18)8-7-12-6-5-11(15)10-16-12/h2-10H,1H3/b8-7+
InChIKeyNTALIKZDXZAUIK-BQYQJAHWSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155564048) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155564048
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccc(Cl)cn2)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-3-2-4-14(9-13)20(17,18)8-7-12-6-5-11(15)10-16-12/h2-10H,1H3/b8-7+
InChIKeyNTALIKZDXZAUIK-BQYQJAHWSA-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

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
CID 514892
2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174
3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155566926
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155564048) is 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2ccc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is NTALIKZDXZAUIK-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-13-3-2-4-14(9-13)20(17,18)8-7-12-6-5-11(15)10-16-12/h2-10H,1H3/b8-7+.
What are the key properties of 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
5-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 5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155564048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).