1-Naphthalenesulfonamide, 5,6-diamino-

HCID 5114007

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 118876-56-5
Standard SMILES: Nc1ccc2c(S(N)(=O)=O)cccc2c1N
InChIKey: BTEJYYHSAQZSCX-UHFFFAOYSA-N
Molecular formula: C10H11N3O2S
Average molar mass: 237.28 g/mol
Monoisotopic mass: 237.05719778

Names & identifiers

Preferred name: 1-Naphthalenesulfonamide, 5,6-diamino-
IUPAC: 5,6-diaminonaphthalene-1-sulfonamide

Names & synonyms

5,6-diaminonaphthalene-1-sulfonamide1-Naphthalenesulfonamide, 5,6-diamino-118876-56-5SCHEMBL9669785DTXSID40408480BTEJYYHSAQZSCX-UHFFFAOYSA-NAKOS0050674221,2-diamino-naphthalene-5-sulphonamideDB-229267

Database identifiers

CAS: 118876-56-5
PubChem CID: 5114007
DTXSID: DTXSID40408480

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 121 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 352

Related reactions

3 records

New reaction record

HRID 477774As productuspto-grants-1989_12

HRID 1120435As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1165824As productuspto-grants-1990_03

Compound notes

Loading…