chempirical

Indisulam

C14H12ClN3O4S2CAS 165668-41-7385.84 g/mol

Open in Covalent MOL file
H2NSOOSOONHClNH
Aryl halideSulfonamide

Properties

Molecular formula
C14H12ClN3O4S2
Molar mass
385.84 g/mol
Exact mass
384.9958 Da
Melting point
242–243 °C (decomposes)
logP
2.27Crippen estimate
Polar surface area
122.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Identifiers

CAS number
165668-41-7
SMILES
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIKey
SETFNECMODOHTO-UHFFFAOYSA-N
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)

Weigh it out

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

Names and synonyms

4 names
  • 1,4-Benzenedisulfonamide, N1-(3-chloro-1H-indol-7-yl)-
  • 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-
  • N1-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide
  • E 7070

Work with Indisulam

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-Chlorobenzenesulfonamide98-64-638 % similar Sulfanilamide63-74-136 % similar Sulfadiazine68-35-935 % similar Benzenesulfonamide98-10-234 % similar 4-Hydrazinobenzenesulfonamide4392-54-534 % similar 2-Chlorobenzenesulfonamide6961-82-633 % similar 4-Amino-3,5-dichlorobenzenesulfonamide22134-75-433 % similar Sulfachlorpyridazine80-32-032 % similar

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

Elsewhere

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