5-chloro-N-heptylnaphthalene-1-sulfonamide

• ChemBase ID: 105150
• Molecular Formular: C17H22ClNO2S
• Molecular Mass: 339.88008
• Monoisotopic Mass: 339.10597763
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 102649-79-6
• PubChem SID: 162091977
• PubChem CID: 5175

CALCULATED PROPERTIES

• Acid pKa: 9.894852
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.054064
• LogD (pH = 7.4): 5.0528502
• Log P: 5.054079
• Molar Refractivity: 92.0442 cm^3
• Polarizability: 37.871334 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chlorform
• Apperance: Off-White Solid
• Melting Point: 95-97°C

Safety Information

• Storage Condition: -20°C Freezer; Room Temperature (15-30°C)

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02158927

Purity: 99%
Protein Kinase C activator.

Toronto Research Chemicals - H283000

An activator of protein kinase C in a Ca2+-dependent manner, via a mechanism similar to that of phosphatidylserine.

REFERENCES

• 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)