General Information of the Compound
Compound ID
CP0428553
Compound Name
N-[2-(3,4-difluorophenyl)phenyl]-4-methoxybenzenesulfonamide
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Structure
Formula
C19H15F2NO3S
Molecular Weight
375.396
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(F)c(F)c1
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InChI
InChI=1S/C19H15F2NO3S/c1-25-14-7-9-15(10-8-14)26(23,24)22-19-5-3-2-4-16(19)13-6-11-17(20)18(21)12-13/h2-12,22H,1H3
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InChIKey
KHGCTOQGIGMPBI-UHFFFAOYSA-N
Physicochemical Property
logP
4.4412
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 122184516
ChEMBL ID
CHEMBL3600755
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 2750 nM
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