chempirical

3-Amino-4-methoxybenzenesulfonyl fluoride

C7H8FNO3SCAS 498-74-8205.20 g/mol

Open in Covalent MOL file
OSOOFH2N
EtherPrimary amine

Properties

Molecular formula
C7H8FNO3S
Molar mass
205.20 g/mol
Exact mass
205.0209 Da
Melting point
62 °C
logP
0.94Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
498-74-8
SMILES
COc1ccc(S(=O)(=O)F)cc1N
InChIKey
SESLQGPHIQXYGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonyl fluoride, 3-amino-4-methoxy-
  • Metanilyl fluoride, 4-methoxy-
  • 5-Fluorosulfonyl-2-methoxyaniline
  • 4-Methoxymetanilyl fluoride
  • NSC 95416
  • 3-Amino-4-methoxybenzene-1-sulfonyl fluoride

Work with 3-Amino-4-methoxybenzenesulfonyl 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

2-Aminoanisole-4-sulfonic acid98-42-062 % similar 3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide97-35-855 % similar 2,4-Diaminoanisole sulfate39156-41-749 % similar 2,4-Diaminoanisole615-05-449 % similar Para-cresidine120-71-847 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-546 % similar 5-Chloro-2-methoxyaniline95-03-446 % similar 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Fluoro-4,6-dimethylpyridinium-2-sulfonate147541-01-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook