chempirical

2-Nitrobenzenesulfonyl chloride

C6H4ClNO4SCAS 1694-92-4221.61 g/mol

Open in Covalent MOL file
ON+O−SOOCl
Nitro

Properties

Molecular formula
C6H4ClNO4S
Molar mass
221.61 g/mol
Exact mass
220.9550 Da
Melting point
67 °C
logP
1.52Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
1694-92-4
SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)Cl
InChIKey
WPHUUIODWRNJLO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzenesulfonyl chloride, 2-nitro-
  • Benzenesulfonyl chloride, o-nitro-
  • o-Nitrobenzenesulfonyl chloride
  • o-Nitrophenylsulfonyl chloride
  • 2-Nitrophenylsulfonyl chloride
  • NSC 12991
  • 2-Nitrobenzene-1-sulfonyl chloride
  • o-Nosyl chloride
  • 2-Nitro-phenyl-sulphonyl chloride
  • 1-(Chlorosulfonyl)-2-nitrobenzene
  • 2-Nitrobenzenesulphonyl chloride

Work with 2-Nitrobenzenesulfonyl 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

2,4-Dinitrobenzenesulfonyl chloride1656-44-664 % similar 2-Nitrobenzenesulfonic acid80-82-060 % similar 2-Nitrophenyl phenyl sulfone31515-43-258 % similar 1,2-Dinitrobenzene528-29-055 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-350 % similar 2-Nitrochlorobenzene88-73-350 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-550 % similar 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-849 % similar

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

Same formula

3-Nitrobenzenesulfonyl chloride121-51-7 4-Nitrobenzenesulfonyl chloride98-74-8

Elsewhere

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