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

C₁₄H₁₉ClN₂O₂SCAS 89108-46-3314.83 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₄H₁₉ClN₂O₂S
Molar mass: 314.83 g/mol
Exact mass: 314.0856 Da
logP: 2.28Crippen 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

89108-46-3

SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl

InChIKey

WYFVKUWCEVMLOL-UHFFFAOYSA-N

InChI

InChI=1S/C14H18N2O2S.ClH/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14;/h1-2,5-8,11,16H,3-4,9-10,15H2;1H

Weigh it out

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

Names and synonyms

1 names

W-12, Hydrochloride

Work with N-(4-Aminobutyl)-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)-5-chloro-2-naphthalenesulfonamide hydrochloride88519-57-772 % similar W-7 Hydrochloride61714-27-051 % similar Naphthalene-2-sulfonamide1576-47-242 % similar H-9 Dihydrochloride116700-36-842 % similar N-Butylbenzenesulfonamide3622-84-241 % similar Naphthalene-2-sulfonic acid hydrate6036-00-639 % similar Naphthalene-2-sulfonic acid120-18-339 % similar 2-Naphthalenesulfonyl chloride93-11-839 % similar

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

Elsewhere

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