CAS 78957-84-3|N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide hydrochloride|N-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide Hydrochloride|W8 Hydrochloride|N-(4-Aminobutyl)-5-chloro-1-naphthal...

General Information

Structure

Molecular Formula

C₁₄H₁₈Cl₂N₂O₂S

Molecular Mass

349.27592

Exact Mass

348.04660419

Charge

InChI

InChI=1S/C14H17ClN2O2S.ClH/c15-13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)17-10-2-1-9-16;/h3-8,17H,1-2,9-10,16H2;1H

InChIKey

IKMXJMNRHREPOD-UHFFFAOYSA-N

Canonic Smiles

NCCCCNS(=O)(=O)c1cccc2c1cccc2Cl.Cl

Isomeric Smiles

S(=O)(=O)(c1cccc2c1cccc2Cl)NCCCCN.Cl

Calculated Properties

JChem

Acid pKa

9.598215

H Acceptors

H Donor

LogD (pH = 5.5)

-0.83583105

LogD (pH = 7.4)

-0.17401426

Log P

1.6721315

Molar Refractivity

81.8274

Polarizability

33.87039

Polar Surface Area

72.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide HydrochlorideW8 HydrochlorideN-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide MonohydrochlorideN-(4-氨基丁基)-5-氯-1-萘磺酰胺盐酸盐N-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochlorideN-(4-Aminobutyl)-5-chloro-1-naphthalenesulphonamide hydrochloride

IUPAC Traditional name

N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

IUPAC name

N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

Names and Identifiers

Registration numbers

CAS Number

78957-84-3

MDL Number

MFCD00058416

PubChem SID

162038722