NAV

p-Toluenesulfonamide

Identification

Generic Name
p-Toluenesulfonamide
DrugBank Accession Number
DB17299
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 171.21
Monoisotopic: 171.035399708
Chemical Formula
C7H9NO2S
Synonyms
  • 4-methylbenzenesulfonamide
  • 4-toluenesulfonamide
  • Benzenesulfonamide, 4-methyl-
  • P-methylbenzenesulfonamide
  • P-toluenesulfonylamide
  • P-tosylamide
  • Para-toluenesulfonamide
  • Tolbutamide impurity a
  • Toluene-4-sulphonamide
  • Toluenesulfonamide, p-
External IDs
  • NSC-9908
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
I8266RI90M
CAS number
70-55-3
InChI Key
LMYRWZFENFIFIT-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
IUPAC Name
4-methylbenzene-1-sulfonamide
SMILES
CC1=CC=C(C=C1)S(N)(=O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0246504
KEGG Compound
C14412
ChemSpider
6033
BindingDB
10859
ChEBI
34435
ChEMBL
CHEMBL574
ZINC
ZINC000000388056
PDBe Ligand
4J8
PDB Entries
4yxi / 5rtl / 6gm9 / 7oyp

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2RecruitingTreatmentHepatocellular Carcinoma1
1WithdrawnTreatmentSolid Tumors1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.27 mg/mLALOGPS
logP0.72ALOGPS
logP1.09Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area60.16 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity43.26 m3·mol-1Chemaxon
Polarizability16.97 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 02, 2022 20:59 / Updated at December 03, 2022 09:37