chempirical

Primisulfuron

C14H10F4N4O7SCAS 113036-87-6454.31 g/mol

Open in Covalent MOL file
OHOSOONHONHNOFFOFFN
Alkyl halideCarboxylic acidEtherSulfonamide

Properties

Molecular formula
C14H10F4N4O7S
Molar mass
454.31 g/mol
Exact mass
454.0206 Da
logP
1.90Crippen estimate
Polar surface area
160.3 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
8

Identifiers

CAS number
113036-87-6
SMILES
O=C(O)c1ccccc1S(=O)(=O)NC(O)=Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIKey
GPGLBXMQFQQXDV-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F4N4O7S/c15-11(16)28-8-5-9(29-12(17)18)20-13(19-8)21-14(25)22-30(26,27)7-4-2-1-3-6(7)10(23)24/h1-5,11-12H,(H,23,24)(H2,19,20,21,22,25)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-
  • 2-[[[[[4,6-Bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]benzoic acid

Work with Primisulfuron

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

Primisulfuron-methyl86209-51-077 % similar Chlorimuron99283-00-864 % similar Sulfometuron methyl74222-97-254 % similar Oxasulfuron144651-06-951 % similar Chlorimuron-ethyl90982-32-448 % similar Nicosulfuron111991-09-443 % similar Rimsulfuron122931-48-042 % similar Flazasulfuron104040-78-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook