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

C21H24FNO2S — CID 3816431

IUPAC1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCCCc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FNO2S/c1-2-3-4-17-5-11-21(12-6-17)26(24,25)23-15-13-19(14-16-23)18-7-9-20(22)10-8-18/h5-13H,2-4,14-16H2,1H3
InChIKeyHYNVMJXXAXCIHZ-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.65
Rot. Bonds6

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

1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 3816431) has the molecular formula C21H24FNO2S and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID3816431
Molecular FormulaC21H24FNO2S
Molecular Weight373.49 g/mol
Exact Mass373.15
IUPAC Name1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCCCc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FNO2S/c1-2-3-4-17-5-11-21(12-6-17)26(24,25)23-15-13-19(14-16-23)18-7-9-20(22)10-8-18/h5-13H,2-4,14-16H2,1H3
InChIKeyHYNVMJXXAXCIHZ-UHFFFAOYSA-N
XLogP4.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
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CID 3643766
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
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1-(4-butylphenyl)sulfonylpiperidin-4-one
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1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
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4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
CID 86204306
4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
1-(4-butylphenyl)sulfonyl-N-(pyridin-2-ylmethoxy)-3,6-dihydro-2H-pyridin-4-amine
CID 90786156
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 3816431) is 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is CCCCc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HYNVMJXXAXCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2S/c1-2-3-4-17-5-11-21(12-6-17)26(24,25)23-15-13-19(14-16-23)18-7-9-20(22)10-8-18/h5-13H,2-4,14-16H2,1H3.
What are the key properties of 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 373.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3816431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).