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

C14H12ClNO3S — CID 155541239

IUPAC5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ccc(Cl)cn1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-4-2-3-5-14(13)20(17,18)9-8-12-7-6-11(15)10-16-12/h2-10H,1H3/b9-8+
InChIKeyJSJGXXMJUSBQRJ-CMDGGOBGSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

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

5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155541239) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155541239
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ccc(Cl)cn1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-4-2-3-5-14(13)20(17,18)9-8-12-7-6-11(15)10-16-12/h2-10H,1H3/b9-8+
InChIKeyJSJGXXMJUSBQRJ-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

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Related Compounds

Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
CID 514892
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
5-chloro-2-methoxy-N-(3-pyridinyl)benzenesulfonamide
CID 3668507
2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174
2-(3,4-Dichlorophenoxy)-5-(methylsulfinyl)pyridine
CID 514891
Pyridine, 2-(3,4-dichlorophenoxy)-4-(methylsulfonyl)-
CID 514895
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
2,6-dichloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190294
3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155527259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine (CID 155541239) is 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine is COc1ccccc1S(=O)(=O)/C=C/c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is JSJGXXMJUSBQRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-13-4-2-3-5-14(13)20(17,18)9-8-12-7-6-11(15)10-16-12/h2-10H,1H3/b9-8+.
What are the key properties of 5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
5-chloro-2-[(E)-2-(2-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-(2-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155541239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).