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

C16H14FNO4S — CID 126480891

IUPAC1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FNO4S/c17-13-5-7-14(8-6-13)23(21,22)18-10-12(16(19)20)9-11-3-1-2-4-15(11)18/h1-8,12H,9-10H2,(H,19,20)
InChIKeyNVWAJFPRFLUJJD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.28
Rot. Bonds3

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

1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 126480891) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID126480891
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FNO4S/c17-13-5-7-14(8-6-13)23(21,22)18-10-12(16(19)20)9-11-3-1-2-4-15(11)18/h1-8,12H,9-10H2,(H,19,20)
InChIKeyNVWAJFPRFLUJJD-UHFFFAOYSA-N
XLogP2.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 126480891) is 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is NVWAJFPRFLUJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-13-5-7-14(8-6-13)23(21,22)18-10-12(16(19)20)9-11-3-1-2-4-15(11)18/h1-8,12H,9-10H2,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 126480891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).