chempirical

Chloramine B

C6H5ClNNaO2SCAS 127-52-6213.61 g/mol

Open in Covalent MOL file
OSON−ClNa+
Sulfonamide

Properties

Molecular formula
C6H5ClNNaO2S
Molar mass
213.61 g/mol
Exact mass
212.9627 Da
Melting point
170–173 °C
logP
0.74Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
127-52-6
SMILES
O=S(=O)([N-]Cl)c1ccccc1.[Na+]
InChIKey
SVPRVJIDOLJYQR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO2S.Na/c7-8-11(9,10)6-4-2-1-3-5-6;/h1-5,8H;

Weigh it out

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

Names and synonyms

20 names · show all
  • Khloramin B
  • Chlordetal
  • Sodium benzenesulfochloramine
  • Benzenesulfonamide, N-chloro-, sodium salt (1:1)
  • Benzenesulfonamide, N-chloro-, sodium salt
  • Chloramine-B
  • Sodium, (N-chlorobenzenesulfonamido)-
  • Annogen
  • Benzene chloramine
  • Benzenesulfochloramide sodium
  • Sodium benzosulfochloramide
  • Sodium, [chloro(phenylsulfonyl)amino]-
  • Monochloramine B
  • Sodium N-chlorobenzenesulfonamide
  • N-Chlorobenzenesulfonamide sodium salt
  • Chlorogen
  • Neomagnol
  • N-Chloro-N-sodiobenzenesulfonamide
  • Sodium (phenylsulfonyl)chloramide
  • Sodium N-chlorobenzenesulfonamidate

Work with Chloramine B

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

Chloramine-T127-65-165 % similar Chloramine-T trihydrate7080-50-459 % similar Sodium benzenesulfonate515-42-447 % similar Diphenyl sulfone127-63-939 % similar Sodium saccharin128-44-937 % similar [(Chloromethyl)sulfonyl]benzene7205-98-336 % similar Disodium m-benzenedisulfonate831-59-436 % similar Sulfadiazine sodium547-32-036 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook