Home > Compound List > Compound details
32327-48-3 molecular structure
click picture or here to close

N-(5-sulfamoylnaphthalen-1-yl)acetamide

ChemBase ID: 158929
Molecular Formular: C12H12N2O3S
Molecular Mass: 264.30028
Monoisotopic Mass: 264.05686325
SMILES and InChIs

SMILES:
c1ccc(c2c1c(ccc2)S(=O)(=O)N)NC(=O)C
Canonical SMILES:
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)N
InChI:
InChI=1S/C12H12N2O3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
InChIKey:
OXGMADUQTHJYOL-UHFFFAOYSA-N

Cite this record

CBID:158929 http://www.chembase.cn/molecule-158929.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(5-sulfamoylnaphthalen-1-yl)acetamide
IUPAC Traditional name
N-(5-sulfamoylnaphthalen-1-yl)acetamide
Synonyms
N-[5-(Aminosulfonyl)-1-naphthalenyl]acetamide
N-(5-Sulfamoyl-1-naphthyl)acetamide
5-Acetamidonaphthalene-1-sulfonamide
CAS Number
32327-48-3
PubChem SID
162253064
PubChem CID
3403698

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3403698 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.950583  H Acceptors
H Donor LogD (pH = 5.5) 0.80645007 
LogD (pH = 7.4) 0.80538243  Log P 0.8064637 
Molar Refractivity 69.5291 cm3 Polarizability 27.98863 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
DMSO expand Show data source
Hot Ethanol expand Show data source
Hot Methanol expand Show data source
Apperance
Pale Orange Solid expand Show data source
Melting Point
264-266°C(dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle