chempirical

Clorsulon

C8H8Cl3N3O4S2CAS 60200-06-8380.64 g/mol

Open in Covalent MOL file
NH2ClClClSH2NOOSNH2OO
AlkenePrimary amineSulfonamideVinyl halide

Properties

Molecular formula
C8H8Cl3N3O4S2
Molar mass
380.64 g/mol
Exact mass
378.9022 Da
Melting point
203 °C
logP
0.91Crippen estimate
Polar surface area
146.3 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Identifiers

CAS number
60200-06-8
SMILES
Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIKey
QOVTVIYTBRHADL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Benzenedisulfonamide, 4-amino-6-(1,2,2-trichloroethenyl)-
  • 1,3-Benzenedisulfonamide, 4-amino-6-(trichloroethenyl)-
  • 4-Amino-6-(1,2,2-trichloroethenyl)-1,3-benzenedisulfonamide
  • 4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide
  • L 631529
  • MK 401
  • Curatrem

Work with Clorsulon

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

4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-253 % similar 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide654-62-645 % similar 2-Aminobenzenesulfonamide3306-62-538 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-938 % similar 3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-336 % similar 2-Chlorobenzenesulfonamide6961-82-634 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-533 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-433 % similar

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

Same formula

Trichlormethiazide133-67-5

Elsewhere

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