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69762-85-2

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Basic Information
CAS No.: 69762-85-2
Name: N-(6-AMINOHEXYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 69762-85-2 (N-(6-AMINOHEXYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE)
Formula: C16H22Cl2N2O2S
Molecular Weight: 341.8755
Synonyms: 2-Naphthalenesulfonamide,N-(6-aminohexyl)-5-chloro-, monohydrochloride (9CI);
Melting Point: 221-223 °C
Boiling Point: 518.8 °C at 760 mmHg
Flash Point: 267.6 °C
Solubility: Soluble in methanol
Appearance: off-white solid
PSA: 80.57000
LogP: 6.26460
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  • N-(6-Aminohexyl)-5-chloro-2-naphthalenesulfonamide hydrochloride

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Specification

The 2-Naphthalenesulfonamide,N-(6-aminohexyl)-5-chloro-, hydrochloride (1:1) is the organic compound with the formula C16H22Cl2N2O2S. It belongs to the product categories of All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators; Calcium signaling. With the CAS registry number 69762-85-2, its IUPAC name is N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride. What's more, the substance can be used as calmodulin antagonist that binds to calmodulin and inhibits Ca2+/calmodulin-regulated enzyme activities.

Physical properties of 2-Naphthalenesulfonamide,N-(6-aminohexyl)-5-chloro-, hydrochloride (1:1): (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.54; (7)ACD/KOC (pH 7.4): 2.74; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Flash Point: 267.6 °C; (12)Enthalpy of Vaporization: 79.14 kJ/mol; (13)Boiling Point: 518.8 °C at 760 mmHg; (14)Vapour Pressure: 7.24E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCCCN)C(=C1)Cl.Cl
(2)InChI: InChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
(3)InChIKey: FGWDLQXTCSKXSK-UHFFFAOYSA-N