General Information of the Compound
Compound ID
CP0858360
Compound Name
rac-4-chloro-N-(1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl)benzenesulfonamide
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Structure
Formula
C15H20ClN3O2S
Molecular Weight
341.864
Canonical SMILES
CCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
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InChI
InChI=1S/C15H20ClN3O2S/c1-4-13-14(5-2)17-18-15(13)10(3)19-22(20,21)12-8-6-11(16)7-9-12/h6-10,19H,4-5H2,1-3H3,(H,17,18)
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InChIKey
UXXJDSVDRHSHCY-UHFFFAOYSA-N
Physicochemical Property
logP
3.2274
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 24863649
SID: 50095662
ChEMBL ID
CHEMBL3402544
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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 310 nM
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