General Information of the Compound
Compound ID
CP0444519
Compound Name
5-chloro-N-(3-hydroxyphenyl)-2-methoxybenzenesulfonamide
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Structure
Formula
C13H12ClNO4S
Molecular Weight
313.762
Canonical SMILES
COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(O)c1
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InChI
InChI=1S/C13H12ClNO4S/c1-19-12-6-5-9(14)7-13(12)20(17,18)15-10-3-2-4-11(16)8-10/h2-8,15-16H,1H3
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InChIKey
HANZKKJFFHVTLY-UHFFFAOYSA-N
Physicochemical Property
logP
2.855
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 3678766
ChEMBL ID
CHEMBL4847861
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 6000 nM
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