1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline

C20H17FN2O2S — CID 163390049

IUPAC1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cncc(-c2ccc(F)cc2)c1)N1CCCc2ccccc21
InChIInChI=1S/C20H17FN2O2S/c21-18-9-7-15(8-10-18)17-12-19(14-22-13-17)26(24,25)23-11-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyHZUAXDUWVUVCGK-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.03
Rot. Bonds3

About 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline

1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 163390049) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID163390049
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cncc(-c2ccc(F)cc2)c1)N1CCCc2ccccc21
InChIInChI=1S/C20H17FN2O2S/c21-18-9-7-15(8-10-18)17-12-19(14-22-13-17)26(24,25)23-11-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyHZUAXDUWVUVCGK-UHFFFAOYSA-N
XLogP4.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline (CID 163390049) is 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline is O=S(=O)(c1cncc(-c2ccc(F)cc2)c1)N1CCCc2ccccc21.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is HZUAXDUWVUVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-18-9-7-15(8-10-18)17-12-19(14-22-13-17)26(24,25)23-11-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,12-14H,3,5,11H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline?
1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 368.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 163390049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).