3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine

C13H11NO2S — CID 11817425

IUPAC3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-17(16,13-6-2-1-3-7-13)10-8-12-5-4-9-14-11-12/h1-11H/b10-8+
InChIKeyHUOWDELVQIULAZ-CSKARUKUSA-N
MW245.30 g/mol
LogP2.53
Rot. Bonds3

About 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine

3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine (PubChem CID 11817425) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
PubChem CID11817425
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-17(16,13-6-2-1-3-7-13)10-8-12-5-4-9-14-11-12/h1-11H/b10-8+
InChIKeyHUOWDELVQIULAZ-CSKARUKUSA-N
XLogP2.53
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162658393
(E)-2-pyridin-3-ylethenesulfonamide
CID 14912437
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
[(E)-2-[(E)-2-(benzenesulfonyl)ethenyl]sulfonylethenyl]benzene
CID 15531132
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907
1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
3-(benzenesulfonyl)pyridine
CID 5147032
2-phenylethenesulfonic acid;pyridine
CID 173034936

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine (CID 11817425) is 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine is O=S(=O)(/C=C/c1cccnc1)c1ccccc1.
What is the InChIKey of 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine?
The InChIKey is HUOWDELVQIULAZ-CSKARUKUSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-17(16,13-6-2-1-3-7-13)10-8-12-5-4-9-14-11-12/h1-11H/b10-8+.
What are the key properties of 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine?
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine has a molecular weight of 245.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine is sourced from PubChem (CID 11817425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).