2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid

C17H13FN2O4S — CID 68702925

IUPAC2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid
SMILESCS(=O)(=O)Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13FN2O4S/c1-25(23,24)20-16-14(17(21)22)12-7-2-3-8-13(12)19-15(16)10-5-4-6-11(18)9-10/h2-9,20H,1H3,(H,21,22)
InChIKeyDRQSWOHBRQUCFX-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid

2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid (PubChem CID 68702925) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid
PubChem CID68702925
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid
SMILESCS(=O)(=O)Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13FN2O4S/c1-25(23,24)20-16-14(17(21)22)12-7-2-3-8-13(12)19-15(16)10-5-4-6-11(18)9-10/h2-9,20H,1H3,(H,21,22)
InChIKeyDRQSWOHBRQUCFX-UHFFFAOYSA-N
XLogP3.11
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid (CID 68702925) is 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid is CS(=O)(=O)Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid?
The InChIKey is DRQSWOHBRQUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c1-25(23,24)20-16-14(17(21)22)12-7-2-3-8-13(12)19-15(16)10-5-4-6-11(18)9-10/h2-9,20H,1H3,(H,21,22).
What are the key properties of 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid?
2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(methanesulfonamido)quinoline-4-carboxylic acid is sourced from PubChem (CID 68702925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).