5-(Dimethylamino)-1-naphthalenesulfonyl fluoride

C₁₂H₁₂FNO₂SCAS 34523-28-9253.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂FNO₂S
Molar mass: 253.29 g/mol
Exact mass: 253.0573 Da
logP: 2.56Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

34523-28-9

SMILES

CN(C)c1cccc2c(S(=O)(=O)F)cccc12

InChIKey

JMHHECQPPFEVMU-UHFFFAOYSA-N

InChI

InChI=1S/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

3 names

1-Naphthalenesulfonyl fluoride, 5-(dimethylamino)-
5-(Dimethylamino)naphthalene-1-sulfonyl fluoride
Dansyl-fluoride

Work with 5-(Dimethylamino)-1-naphthalenesulfonyl fluoride

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

Dansyl acid4272-77-962 % similar Dansyl chloride605-65-262 % similar Dansylhydrazine33008-06-957 % similar N,N-Dimethyl-1-naphthylamine86-56-646 % similar Dansyl-L-phenylalanine1104-36-541 % similar L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-738 % similar Bansyl compound43040-76-237 % similar 1,8-Bis(dimethylamino)naphthalene20734-58-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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