5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide , CAS No.5282-89-3

CAS: 5282-89-3 Cat. No.: D669185 Molecular Weight: 294.37 PubChem CID: 12910720

Synonyms

5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide | dansyl-ethanolamine | N-dansyl ethanolamine | starbld0023866 | DTXSID30512747 | OLNUFXNRCJFBMZ-UHFFFAOYSA-N | BDBM50100427 | AKOS030255304 | 5-Dimethylamino-naphthalene-1-sulfonic acid (2-hyd

Storage

Room temperature

Specifications

Synonyms

5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide | dansyl-ethanolamine | N-dansyl ethanolamine | starbld0023866 | DTXSID30512747 | OLNUFXNRCJFBMZ-UHFFFAOYSA-N | BDBM50100427 | AKOS030255304 | 5-Dimethylamino-naphthalene-1-sulfonic acid (2-hyd

Storage

Room temperature

Product Properties

• ALogP: 1.7

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCO
• IUPAC Name: 5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
• InChIKey: OLNUFXNRCJFBMZ-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,15,17H,9-10H2,1-2H3
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCO
• PubChem CID: 12910720
• Molecular Weight: 294.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Alkanolamine - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GBA Tclin Glucosylceramidase (1 Activities)

Discover Target: GBA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 294.370 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 294.104 Da
• Monoisotopic Mass: 294.104 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1