chempirical

Halazone

C7H5Cl2NO4SCAS 80-13-7270.08 g/mol

Open in Covalent MOL file
OHOSOONClCl
Carboxylic acidSulfonamide

Properties

Molecular formula
C7H5Cl2NO4S
Molar mass
270.08 g/mol
Exact mass
268.9316 Da
Melting point
195 °C (decomposes)
logP
1.68Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
80-13-7
SMILES
O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1
InChIKey
XPDVQPODLRGWPL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

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

Names and synonyms

15 names · show all
  • Benzoic acid, 4-[(dichloroamino)sulfonyl]-
  • Benzoic acid, p-(dichlorosulfamoyl)-
  • 4-[(Dichloroamino)sulfonyl]benzoic acid
  • p-(Dichlorosulfamoyl)benzoic acid
  • p-(N,N-Dichlorosulfamyl)benzoic acid
  • Pantocid
  • p-Sulfondichloramidobenzoic acid
  • Pantocide
  • Pantosid
  • p-(N,N-Dichlorosulfamoyl)benzoic acid
  • Halazon
  • Pentocid
  • Zeptabs
  • 4-Carboxy-N,N-dichlorobenzenesulfonamide
  • NSC 60717

Work with Halazone

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

Probenecid57-66-957 % similar 4-(Chlorosulfonyl)benzoic acid10130-89-957 % similar 4-Carboxybenzenesulfonamide138-41-053 % similar 4-(Methylsulfonyl)benzoic acid4052-30-653 % similar Terephthalic acid100-21-052 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-252 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-652 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-751 % similar

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

Same formula

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-4

Elsewhere

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