chempirical

2-Chloro-4-(methylsulfonyl)benzenamine

C7H8ClNO2SCAS 13244-35-4205.66 g/mol

Open in Covalent MOL file
SOONH2Cl
Aryl halidePrimary amineSulfone

Properties

Molecular formula
C7H8ClNO2S
Molar mass
205.66 g/mol
Exact mass
204.9964 Da
Melting point
195–196 °C
logP
1.33Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
13244-35-4
SMILES
CS(=O)(=O)c1ccc(N)c(Cl)c1
InChIKey
VLMRGLCBIFWPGL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 2-chloro-4-(methylsulfonyl)-
  • Aniline, 2-chloro-4-(methylsulfonyl)-
  • 3-Chloro-4-aminophenylmethylsulfone
  • 4-Amino-3-chlorophenyl methyl sulfone
  • 2-Chloro-4-(methylsulfonyl)aniline
  • 2-Chloro-4-methanesulfonylaniline

Work with 2-Chloro-4-(methylsulfonyl)benzenamine

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-Amino-4-(methylsulfonyl)phenol98-30-656 % similar 2-Chloro-4-(methylsulfonyl)benzoic acid53250-83-254 % similar 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-449 % similar 4-(Methylsulfonyl)aniline5470-49-548 % similar 2-Chloro-4-methylaniline615-65-648 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-748 % similar 3,3'-Dichlorobenzidine91-94-147 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-146 % similar

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

Elsewhere

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