N-(6-aminohexyl)naphthalene-2-sulfonamide hydrochloride

• ChemBase ID: 75202
• Molecular Formular: C16H23ClN2O2S
• Molecular Mass: 342.88402
• Monoisotopic Mass: 342.11687667
• SMILES: S(=O)(=O)(c1ccc2c(c1)cccc2)NCCCCCCN.Cl
• Canonical SMILES: NCCCCCCNS(=O)(=O)c1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C16H22N2O2S.ClH/c17-11-5-1-2-6-12-18-21(19,20)16-10-9-14-7-3-4-8-15(14)13-16;/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2;1H
• InChIKey: JLIMXHUUJSFGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-aminohexyl)naphthalene-2-sulfonamide hydrochloride
• IUPAC Traditional name: N-(6-aminohexyl)naphthalene-2-sulfonamide hydrochloride
• Synonyms: 2-[N-(6-Aminohex-1-yl)sulphamoyl]naphthalene hydrochloride; N-(6-Aminohex-1-yl)naphthalene-2-sulphonamide hydrochloride; N-(6-Aminohexyl)-2-naphthalenesulfonamide Hydrochloride

Database IDs

• CAS Number: 35517-14-7
• MDL Number: MFCD00151482
• PubChem SID: 162040120
• PubChem CID: 44118678

CALCULATED PROPERTIES

• Acid pKa: 9.835322
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.56047934
• LogD (pH = 7.4): -0.09690121
• Log P: 1.8875738
• Molar Refractivity: 86.2246 cm^3
• Polarizability: 35.700382 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Orange Solid
• Melting Point: 144-145°C; 144-145°C

Safety Information

• Storage Condition: -20°C Freezer; Store at -20°C
• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - OR1105T

Calmodulin antagonist that binds to calmodulin & inhibits calcium-ion/calmodium-regulated activities including phosphodiesterase activation & myosin light chain kinase

Toronto Research Chemicals - A611050

Calmodulin antagonist that binds to calmodulin and inhibits calcium-ion-calmodulin- regulated activities, including phosphodiesterase activation and myosin light chain kinase.