chempirical

4-Methoxybenzenesulfonyl chloride

C7H7ClO3SCAS 98-68-0206.64 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C7H7ClO3S
Molar mass
206.64 g/mol
Exact mass
205.9804 Da
Melting point
41 °C
Boiling point
103–105 °C (at 0.25 Torr)
logP
1.62Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
98-68-0
SMILES
COc1ccc(S(=O)(=O)Cl)cc1
InChIKey
DTJVECUKADWGMO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3

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Names and synonyms

12 names
  • Benzenesulfonyl chloride, 4-methoxy-
  • Benzenesulfonyl chloride, p-methoxy-
  • p-Methoxybenzenesulfonyl chloride
  • p-Anisylsulfonyl chloride
  • p-Methoxyphenylsulfonyl chloride
  • 4-Methoxyphenylsulfonyl chloride
  • 4-Methoxybenzenesulfonic acid chloride
  • NSC 403292
  • 4-(Methyloxy)benzenesulfonyl chloride
  • 4-Methoxybenzene-1-sulfonyl chloride
  • 4-Methoxybenzensulfonyl chloride
  • 4-Methoxybezenesulfonyl chloride

Work with 4-Methoxybenzenesulfonyl chloride

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

4,4′-Oxybis[benzenesulfonyl chloride]121-63-167 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-859 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-059 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-256 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-656 % similar 4-Toluenesulfonyl chloride98-59-955 % similar 4-Methoxybenzenesulfonamide1129-26-655 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-255 % similar

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

Same formula

3-Methoxybenzenesulfonyl chloride10130-74-2 2-Methoxybenzenesulfonyl chloride10130-87-7

Elsewhere

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