General Information of the Compound
Compound ID
CP0565359
Compound Name
4-ethyl-N-(4-hydroxyphenyl)benzenesulfonamide
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Structure
Formula
C14H15NO3S
Molecular Weight
277.345
Canonical SMILES
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(O)cc1
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InChI
InChI=1S/C14H15NO3S/c1-2-11-3-9-14(10-4-11)19(17,18)15-12-5-7-13(16)8-6-12/h3-10,15-16H,2H2,1H3
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InChIKey
IERBZJSXDFMRQN-UHFFFAOYSA-N
Physicochemical Property
logP
2.7554
Rotatable Bonds
4
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: 846949
ChEMBL ID
CHEMBL3360256
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: PT03034, Cytochrome b-c1 complex subunit 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 20000 nM
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