CAS 79127-24-5|N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide hydrochloride|1-[(10-Aminodec-1-yl)sulphamoyl]-5-chloronaphthalene|N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide hydrochlorid...

General Information

Structure

Molecular Formula

C₂₀H₃₀Cl₂N₂O₂S

Molecular Mass

433.4354

Exact Mass

432.14050457

Charge

InChI

InChI=1S/C20H29ClN2O2S.ClH/c21-19-13-9-12-18-17(19)11-10-14-20(18)26(24,25)23-16-8-6-4-2-1-3-5-7-15-22;/h9-14,23H,1-8,15-16,22H2;1H

InChIKey

XDJCAQBTSCRBHS-UHFFFAOYSA-N

Canonic Smiles

NCCCCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl.Cl

Isomeric Smiles

Clc1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCN.Cl

Calculated Properties

JChem

Acid pKa

9.721942

H Acceptors

H Donor

LogD (pH = 5.5)

1.8226715

LogD (pH = 7.4)

2.3072124

Log P

4.2235384

Molar Refractivity

109.4334

Polarizability

44.927452

Polar Surface Area

72.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

Synonyms

1-[(10-Aminodec-1-yl)sulphamoyl]-5-chloronaphthaleneN-(10-Aminodec-1-yl)-5-chloronaphthalene-1-sulphonamide hydrochlorideN-(10-Aminodecyl)-5-chloro-1-naphthalenesulfonamide MonoydrochlorideN-(10-Aminodecyl)-5-chloro-1-naphthalenesulfonamide Hydrochloride

IUPAC Traditional name

N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number