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

C14H18FNO2S — CID 141045379

IUPAC4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2S/c1-11(2)19(17,18)16-9-7-12(8-10-16)13-5-3-4-6-14(13)15/h3-7,11H,8-10H2,1-2H3
InChIKeyCDBGWNCXIOCQLD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.65
Rot. Bonds3

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

4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 141045379) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID141045379
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2S/c1-11(2)19(17,18)16-9-7-12(8-10-16)13-5-3-4-6-14(13)15/h3-7,11H,8-10H2,1-2H3
InChIKeyCDBGWNCXIOCQLD-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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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 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 141045379) is 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is CC(C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is CDBGWNCXIOCQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-11(2)19(17,18)16-9-7-12(8-10-16)13-5-3-4-6-14(13)15/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 283.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141045379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).