General Information of the Compound
Compound ID
CP0450871
Compound Name
2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
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Structure
Formula
C11H12Cl2N2O4S
Molecular Weight
339.2
Canonical SMILES
NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
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InChI
InChI=1S/C11H12Cl2N2O4S/c12-8-6-9(13)10(20(14,17)18)5-7(8)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H2,14,17,18)
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InChIKey
AVTRWXCLWDQMCF-UHFFFAOYSA-N
Physicochemical Property
logP
1.1132
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
89.7
Hydrogen Bond Donor Count
1
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: 60635890
ChEMBL ID
CHEMBL4173814
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: PT01011, Carbonic anhydrase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Kd = 154 nM
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