General Information of the Compound
Compound ID
CP0302675
Compound Name
N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
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Structure
Formula
C12H9ClFNO3S
Molecular Weight
301.726
Canonical SMILES
Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl
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InChI
InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H
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InChIKey
PPGMDHPWICKRAI-UHFFFAOYSA-N
Physicochemical Property
logP
2.9855
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 874861
ChEMBL ID
CHEMBL3314616
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: PT02347, Tumor necrosis factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 100000 nM
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