[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone

C22H13F2NO3S — CID 50744417

IUPAC[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H13F2NO3S/c23-15-6-9-17(10-7-15)29(27,28)22-18-12-16(24)8-11-20(18)25-13-19(22)21(26)14-4-2-1-3-5-14/h1-13H
InChIKeyRDTOUDLHLBGRQU-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.58
Rot. Bonds4

About [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone

[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone (PubChem CID 50744417) has the molecular formula C22H13F2NO3S and a molecular weight of 409.41 g/mol. Its IUPAC name is [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone
PubChem CID50744417
Molecular FormulaC22H13F2NO3S
Molecular Weight409.41 g/mol
Exact Mass409.06
IUPAC Name[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H13F2NO3S/c23-15-6-9-17(10-7-15)29(27,28)22-18-12-16(24)8-11-20(18)25-13-19(22)21(26)14-4-2-1-3-5-14/h1-13H
InChIKeyRDTOUDLHLBGRQU-UHFFFAOYSA-N
XLogP4.58
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The IUPAC name of [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone (CID 50744417) is [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The canonical SMILES for [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The InChIKey is RDTOUDLHLBGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2NO3S/c23-15-6-9-17(10-7-15)29(27,28)22-18-12-16(24)8-11-20(18)25-13-19(22)21(26)14-4-2-1-3-5-14/h1-13H.
What are the key properties of [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone?
[6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone has a molecular weight of 409.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 50744417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).