P-TOLUENESULFONAMIDE

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Synonyms
Status
Molecule Category Free-form
UNII I8266RI90M
EPA CompTox DTXSID8029105

Structure

InChI Key LMYRWZFENFIFIT-UHFFFAOYSA-N
Smiles Cc1ccc(S(N)(=O)=O)cc1
InChI
InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9NO2S
Molecular Weight 171.22
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 60.16
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 580 0.13-430 1.8-846 -
Enzyme Oxidoreductase
- - - - 25-70
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - - 6
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - -7-11
Enzyme
- 580 0.13-430 1.8-846 -7-11
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 70
Astrosclera willeyana
- - - 675 -
Bacillus anthracis
- - - - 6
Bos taurus
- - - 57.54 -
Candida glabrata
- - - 846 -
Colwellia psychrerythraea
- - - 646 -
Enterobacter sp.
- - - 384 -
Helicobacter pylori
- - - 320-473 -
Homo sapiens
- 580 0.13-430 1.8-460 -7-25
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 556-624 -
Mus musculus
- - - -
Nostoc commune
- - - 785-785 -
Porphyromonas gingivalis
- - - 710-945 -
Stylophora pistillata
- - - 516-614 -
Sulfurihydrogenibium yellowstonense
- - - 848 -
Thalassiosira weissflogii
- - - 424 -
Thiomicrospira crunogena XCL-2
- - - 244 -
Vibrio cholerae
- - - 76.3-219 -

Related Entries

Cross References

Resources Reference
ChEBI 34435
ChEMBL CHEMBL574
FDA SRS I8266RI90M
KEGG C14412
PDB 4J8
PubChem 6269
SureChEMBL SCHEMBL7370
ZINC ZINC000000388056
CONTENTS