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

C18H18FNO2S — CID 858337

IUPAC4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H18FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-12-10-16(11-13-20)15-4-6-17(19)7-5-15/h2-10H,11-13H2,1H3
InChIKeyMXLIEWDCBOOGBN-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.61
Rot. Bonds3

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

4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 858337) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID858337
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H18FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-12-10-16(11-13-20)15-4-6-17(19)7-5-15/h2-10H,11-13H2,1H3
InChIKeyMXLIEWDCBOOGBN-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 858337) is 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is MXLIEWDCBOOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-12-10-16(11-13-20)15-4-6-17(19)7-5-15/h2-10H,11-13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 331.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 858337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).