chempirical

Oryzalin

C12H18N4O6SCAS 19044-88-3346.36 g/mol

Open in Covalent MOL file
NN+OO−SNH2OON+OO−
NitroSulfonamideTertiary amine

Properties

Molecular formula
C12H18N4O6S
Molar mass
346.36 g/mol
Exact mass
346.0947 Da
Melting point
137–138 °C
logP
1.78Crippen estimate
Polar surface area
149.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
19044-88-3
SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIKey
UNAHYJYOSSSJHH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)

Weigh it out

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

Names and synonyms

12 names
  • Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-
  • Sulfanilamide, 3,5-dinitro-N4,N4-dipropyl-
  • 4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide
  • Surflan
  • EL 119
  • Ryzelan
  • 3,5-Dinitro-N4,N4-dipropylsulfanilamide
  • N4,N4-Dipropyl-3,5-dinitrosulfanilamide
  • Rizelan
  • Dirimal
  • NSC 648479
  • Oryzalin 4 pro

Work with Oryzalin

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

Trifluralin1582-09-857 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-151 % similar Prodiamine29091-21-249 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-648 % similar Benfluralin1861-40-144 % similar 4-Nitrobenzenesulfonamide6325-93-542 % similar 3-Nitrobenzenesulfonamide121-52-842 % similar 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl) methyl)amino) benzene sulfonamide1228779-96-140 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook