6-Amino-N-methyl-2-naphthalenesulfonamide

C₁₁H₁₂N₂O₂SCAS 104295-55-8236.29 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₁H₁₂N₂O₂S
Molar mass: 236.29 g/mol
Exact mass: 236.0619 Da
logP: 1.33Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-177-00-7), via PubChem.

Precautionary statements

P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

104295-55-8

SMILES

CNS(=O)(=O)c1ccc2cc(N)ccc2c1

InChIKey

RBQODZRXIYFUJS-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Naphthalenesulfonamide, 6-amino-N-methyl-

Work with 6-Amino-N-methyl-2-naphthalenesulfonamide

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

6-Amino-2-naphthalenesulfonic acid93-00-554 % similar 3-Amino-4-hydroxy-N-methylbenzenesulfonamide80-23-953 % similar 3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride85237-56-549 % similar N-Methyl-p-toluenesulfonamide640-61-947 % similar N-Methylbenzenesulfonamide5183-78-846 % similar Anthracene-2,6-diamine46710-42-344 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-144 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zileuton111406-87-2 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone5789-21-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook