chempirical

N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide

C11H15Cl2NO2SCAS 42137-88-2296.21 g/mol

Open in Covalent MOL file
SOONClCl
Alkyl halideSulfonamide

Properties

Molecular formula
C11H15Cl2NO2S
Molar mass
296.21 g/mol
Exact mass
295.0201 Da
Melting point
47 °C
logP
2.46Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
42137-88-2
SMILES
Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
InChIKey
PTVBBIMKLOMGSY-UHFFFAOYSA-N
InChI
InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-
  • p-Toluenesulfonamide, N,N-bis(2-chloroethyl)-
  • N,N-Bis(2-chloroethyl)-p-toluenesulfonamide
  • NSC 49364
  • N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide

Work with N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide

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-[(4-Methylphenyl)sulfonyl]piperazine27106-51-066 % similar N-Tosyl-2,5-dihydropyrrole16851-72-260 % similar 1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid147636-36-053 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-953 % similar 2-Chloroethyl P-toluenesulfonate80-41-149 % similar 4-Toluenesulfonyl chloride98-59-943 % similar 4-(Morpholinosulfonyl)aniline21626-70-041 % similar Probenecid57-66-940 % similar

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

Elsewhere

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