General Information of the Compound
Compound ID
CP0508060
Compound Name
N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide
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Structure
Formula
C14H32N2O4S2
Molecular Weight
356.554
Canonical SMILES
CC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C
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InChI
InChI=1S/C14H32N2O4S2/c1-13(2)21(17,18)15-11-9-7-5-6-8-10-12-16-22(19,20)14(3)4/h13-16H,5-12H2,1-4H3
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InChIKey
NFULISLITGUUKS-UHFFFAOYSA-N
Physicochemical Property
logP
1.9826
Rotatable Bonds
13
Heavy Atom Count
22
Polar Areas
92.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 10155236
SID: 15148328
ChEMBL ID
CHEMBL1277094
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: PT03542, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 910 nM
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