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565-20-8 molecular structure
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N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide

ChemBase ID: 90249
Molecular Formular: C14H14N2O3S
Molecular Mass: 290.33756
Monoisotopic Mass: 290.07251332
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(cc1)NC(=O)C)c1ccc(cc1)N
Canonical SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N
InChI:
InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)
InChIKey:
WDOCBIHNYYQINH-UHFFFAOYSA-N

Cite this record

CBID:90249 http://www.chembase.cn/molecule-90249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide
IUPAC Traditional name
N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide
Synonyms
N-{4-[(4-Aminobenzene)sulphonyl]phenyl}acetamide
4-(Acetamido)-4'-aminobiphenyl sulphone
Mono-N-acetyl-4-4′-sulfonylbisbenzeneamine
Monoacetyldapsone
N-[4-[(4-Aminophenyl)sulfonyl]phenyl]-acetamide
Acetyldapsone
MADDS
Monoacetyldapsone
N-Acetyl Dapsone
CAS Number
565-20-8
MDL Number
MFCD00672496
PubChem SID
162104735
PubChem CID
11257

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11257 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.49586  H Acceptors
H Donor LogD (pH = 5.5) 1.3367192 
LogD (pH = 7.4) 1.3368627  Log P 1.3368648 
Molar Refractivity 79.1536 cm3 Polarizability 30.40936 Å3
Polar Surface Area 89.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
white expand Show data source
Melting Point
237-239C expand Show data source
242-244°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
AE7020000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
37/38-41-43 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C14H14N2O3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - UC428 external link
Biochem/physiol Actions
NAT conjugate of dapsone
Toronto Research Chemicals - A168435 external link
A metabolite of Dapsone (D193250).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Shin, I., et al.: J. App. Pharmacol., 10, 193 (2002)
  • • Bhaiya, P., et al.: Toxicol. App. Pharmacol., 215, 158 (2002)
  • • Paixao, P., et al.: Eur. J. Pharm. Sci., 36, 544 (2002)
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PATENTS

PATENTS

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INTERNET

INTERNET

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