2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine

C14H13NO2S — CID 19901327

IUPAC2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2S/c1-12(14-9-5-6-10-15-14)11-18(16,17)13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKeyHLAUETCMXXDSGB-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.57
Rot. Bonds4

About 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine

2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine (PubChem CID 19901327) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine
PubChem CID19901327
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2S/c1-12(14-9-5-6-10-15-14)11-18(16,17)13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKeyHLAUETCMXXDSGB-UHFFFAOYSA-N
XLogP2.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine?
The IUPAC name of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine (CID 19901327) is 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine?
The canonical SMILES for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine is C=C(CS(=O)(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine?
The InChIKey is HLAUETCMXXDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-12(14-9-5-6-10-15-14)11-18(16,17)13-7-3-2-4-8-13/h2-10H,1,11H2.
What are the key properties of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine?
2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine has a molecular weight of 259.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 19901327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).