1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline

C15H14FNO2S — CID 2367813

IUPAC1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C15H14FNO2S/c16-13-8-2-4-10-15(13)20(18,19)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11H2
InChIKeyVYDYOSZZCXJMDC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2367813) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2367813
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C15H14FNO2S/c16-13-8-2-4-10-15(13)20(18,19)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11H2
InChIKeyVYDYOSZZCXJMDC-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 2367813) is 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccccc1F)N1CCCc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is VYDYOSZZCXJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-13-8-2-4-10-15(13)20(18,19)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 291.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2367813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).