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CHEBI:75366 - N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide

ChEBI IDCHEBI:75366
ChEBI NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide
Stars
ASCII NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide
DefinitionA sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.
Last Modified25 February 2016
Submitternamrata
DownloadsMolfile
FormulaC14H17ClN2O2S
Net Charge0
Average Mass312.822
Monoisotopic Mass312.06993
SMILESNCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C14H17ClN2O2S/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
InChIKeyJJQKICOADUKSNS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366) is a naphthalenes (CHEBI:25477)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366) is a organochlorine compound (CHEBI:36683)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366) is a primary amino compound (CHEBI:50994)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366) is a sulfonamide (CHEBI:35358)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366) is conjugate base of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide(1+) (CHEBI:75369)
Incoming Relation(s)
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide(1+) (CHEBI:75369) is conjugate acid of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide (CHEBI:75366)
IUPAC Name 
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide
Synonyms  Source
W-13ChemIDplus
W13ChemIDplus
Manual XrefsDatabases
LSM-2991LINCS
Registry NumbersSources
Reaxys:6227387Reaxys
CAS:81705-04-6ChemIDplus