N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride

C₁₄H₁₈Cl₂N₂O₂SCAS 88519-57-7349.27 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfonamide

Properties

Molecular formula: C₁₄H₁₈Cl₂N₂O₂S
Molar mass: 349.27 g/mol
Exact mass: 348.0466 Da
logP: 2.93Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88519-57-7

SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCN)C(=C1)Cl.Cl

InChIKey

QKAALLVQBOLELJ-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

N-(4-Aminobutyl)-5-chloronaphthalene-2-sulfonamide hydrochloride

Work with N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Aminobutyl)-2-naphthalenesulfonamide hydrochloride89108-46-372 % similar W-7 Hydrochloride61714-27-064 % similar H-9 Dihydrochloride116700-36-843 % similar N-Butylbenzenesulfonamide3622-84-235 % similar p-N-(7-Amino-1-chloro-2-oxohept-3-yl)toluenesulphonamide4272-74-634 % similar N-1-Naphthylethylenediamine dihydrochloride1465-25-434 % similar H 8 Dihydrochloride113276-94-133 % similar N-Butyl-4-methylbenzenesulfonamide1907-65-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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