1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine

C13H16FNO2S — CID 141045390

IUPAC1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-7H,2,8-10H2,1H3
InChIKeyARWFCTCJCKUDEX-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.26
Rot. Bonds3

About 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine

1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 141045390) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID141045390
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-7H,2,8-10H2,1H3
InChIKeyARWFCTCJCKUDEX-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
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4-(2,4-Difluorophenethyl)-1-(4-fluorophenylsulfonyl)-1,2,3,6-tetrahydropyridine
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4-Benzyl-1-[(3-methylphenyl)methylsulfonyl]piperidine
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4-Benzyl-1-(2-phenylethylsulfonyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 141045390) is 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine is CCS(=O)(=O)N1CC=C(c2ccccc2F)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ARWFCTCJCKUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-7H,2,8-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 269.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141045390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).