General Information of the Compound
Compound ID
CP0395684
Compound Name
3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
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Structure
Formula
C13H12ClNO3S
Molecular Weight
297.763
Canonical SMILES
COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
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InChI
InChI=1S/C13H12ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9,15H,1H3
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InChIKey
PANHWXSRURVAHQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1494
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
55.4
Hydrogen Bond Donor Count
1
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: 889795
ChEMBL ID
CHEMBL3924894
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 820 nM
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