2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine

C14H13NO3S — CID 155511967

IUPAC2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccccn2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13-5-7-14(8-6-13)19(16,17)11-9-12-4-2-3-10-15-12/h2-11H,1H3/b11-9+
InChIKeyTZTGYZKSJKOZIV-PKNBQFBNSA-N
MW275.33 g/mol
LogP2.53
Rot. Bonds4

About 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine

2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155511967) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155511967
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccccn2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13-5-7-14(8-6-13)19(16,17)11-9-12-4-2-3-10-15-12/h2-11H,1H3/b11-9+
InChIKeyTZTGYZKSJKOZIV-PKNBQFBNSA-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

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Related Compounds

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CID 10760373
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CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
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4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
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1-[(4-methoxyphenyl)sulfonyl]-1H-pyrrole
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2-(4-Methoxyphenyl)sulfonylquinoxaline
CID 4209634
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
4-[3-[3-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine
CID 146380951
4-[3-[4-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
CID 153404509
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine (CID 155511967) is 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine is COc1ccc(S(=O)(=O)/C=C/c2ccccn2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is TZTGYZKSJKOZIV-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-5-7-14(8-6-13)19(16,17)11-9-12-4-2-3-10-15-12/h2-11H,1H3/b11-9+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
2-[(E)-2-(4-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-(4-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).