General Information of the Compound
Compound ID
CP0527782
Compound Name
N-(4-hydroxyphenyl)naphthalene-2-sulfonamide
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Structure
Formula
C16H13NO3S
Molecular Weight
299.351
Canonical SMILES
Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
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InChI
InChI=1S/C16H13NO3S/c18-15-8-6-14(7-9-15)17-21(19,20)16-10-5-12-3-1-2-4-13(12)11-16/h1-11,17-18H
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InChIKey
XJOAWESFAKLCSU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3462
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 832573
SID: 135643508
ChEMBL ID
CHEMBL3360266
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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