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102649-79-6 molecular structure
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5-chloro-N-heptylnaphthalene-1-sulfonamide

ChemBase ID: 105150
Molecular Formular: C17H22ClNO2S
Molecular Mass: 339.88008
Monoisotopic Mass: 339.10597763
SMILES and InChIs

SMILES:
CCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
Canonical SMILES:
CCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
InChI:
InChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3
InChIKey:
MJMJERJFCHYXEM-UHFFFAOYSA-N

Cite this record

CBID:105150 http://www.chembase.cn/molecule-105150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-N-heptylnaphthalene-1-sulfonamide
IUPAC Traditional name
5-chloro-N-heptylnaphthalene-1-sulfonamide
Synonyms
SC-10
N-HEPTYL-5-CHLORONAPHTHALENE-1-SULFONAMIDE
5-Chloro-N-heptyl-1-naphthalenesulfonamide
N-(N-Heptyl)-5-chloro-1-naphthalenesulfonamide
CAS Number
102649-79-6
PubChem SID
162091977
PubChem CID
5175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.894852  H Acceptors
H Donor LogD (pH = 5.5) 5.054064 
LogD (pH = 7.4) 5.0528502  Log P 5.054079 
Molar Refractivity 92.0442 cm3 Polarizability 37.871334 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chlorform expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
95-97°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals TRC TRC
MP Biomedicals - 02158927 external link
Purity: 99%
Protein Kinase C activator.
Toronto Research Chemicals - H283000 external link
An activator of protein kinase C in a Ca2+-dependent manner, via a mechanism similar to that of phosphatidylserine.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ito, M., et al., Biochemistry , 25 : 4179, (1986).
  • • Coderre, T.J.: Neurosci. Lett., 140, 181 (1992)
  • • Watson, P.H., et al.: J. Bone Miner. Res., 7, 667 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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