chempirical

3-Nitrobenzenesulfonyl chloride

C6H4ClNO4SCAS 121-51-7221.61 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
61 °C
logP
1.52Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
121-51-7
SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1
InChIKey
MWWNNNAOGWPTQY-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Benzenesulfonyl chloride, 3-nitro-
  • Benzenesulfonyl chloride, m-nitro-
  • m-Nitrobenzenesulfonyl chloride
  • m-Nitrophenylsulfonyl chloride
  • 3-Nitrophenylsulfonyl chloride
  • NSC 9806
  • m-Nosyl chloride
  • 3-(Chlorosulfonyl)nitrobenzene
  • 3-Nitrobenzene-1-sulfonyl chloride
  • (3-Nitro)-phenyl-sulphonyl chloride

Work with 3-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

1,1′-Sulfonylbis[3-nitrobenzene]1228-53-168 % similar 3-Nitrobenzenesulfonamide121-52-862 % similar 3-Nitrobenzenesulfonic acid98-47-562 % similar Nitrol S127-68-461 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-359 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-559 % similar 1,3-Benzenedisulfonyl dichloride585-47-758 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-656 % similar

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

Same formula

2-Nitrobenzenesulfonyl chloride1694-92-4 4-Nitrobenzenesulfonyl chloride98-74-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook