1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid

C17H14F3NO4S — CID 126662522

IUPAC1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H14F3NO4S/c18-17(19,20)13-6-2-4-8-15(13)26(24,25)21-10-12(16(22)23)9-11-5-1-3-7-14(11)21/h1-8,12H,9-10H2,(H,22,23)
InChIKeyOIZGPUHDHKRIJF-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.16
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 126662522) has the molecular formula C17H14F3NO4S and a molecular weight of 385.36 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID126662522
Molecular FormulaC17H14F3NO4S
Molecular Weight385.36 g/mol
Exact Mass385.06
IUPAC Name1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H14F3NO4S/c18-17(19,20)13-6-2-4-8-15(13)26(24,25)21-10-12(16(22)23)9-11-5-1-3-7-14(11)21/h1-8,12H,9-10H2,(H,22,23)
InChIKeyOIZGPUHDHKRIJF-UHFFFAOYSA-N
XLogP3.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 126662522) is 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(S(=O)(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is OIZGPUHDHKRIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4S/c18-17(19,20)13-6-2-4-8-15(13)26(24,25)21-10-12(16(22)23)9-11-5-1-3-7-14(11)21/h1-8,12H,9-10H2,(H,22,23).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 385.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 126662522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).