5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine

C15H18FNO3S — CID 166272033

IUPAC5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(/C=C(\C)S(=O)(=O)N2CCC=C(F)C2)cc1
InChIInChI=1S/C15H18FNO3S/c1-12(10-13-5-7-15(20-2)8-6-13)21(18,19)17-9-3-4-14(16)11-17/h4-8,10H,3,9,11H2,1-2H3/b12-10+
InChIKeyWBVJPCNLIQHZTB-ZRDIBKRKSA-N
MW311.38 g/mol
LogP2.94
Rot. Bonds4

About 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine

5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 166272033) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID166272033
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(/C=C(\C)S(=O)(=O)N2CCC=C(F)C2)cc1
InChIInChI=1S/C15H18FNO3S/c1-12(10-13-5-7-15(20-2)8-6-13)21(18,19)17-9-3-4-14(16)11-17/h4-8,10H,3,9,11H2,1-2H3/b12-10+
InChIKeyWBVJPCNLIQHZTB-ZRDIBKRKSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride
CID 74860286
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanoic acid
CID 131114926
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
CID 177396976
CID 177396976
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine (CID 166272033) is 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine is COc1ccc(/C=C(\C)S(=O)(=O)N2CCC=C(F)C2)cc1.
What is the InChIKey of 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is WBVJPCNLIQHZTB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18FNO3S/c1-12(10-13-5-7-15(20-2)8-6-13)21(18,19)17-9-3-4-14(16)11-17/h4-8,10H,3,9,11H2,1-2H3/b12-10+.
What are the key properties of 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 311.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166272033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).