chempirical

N-N-Propyl-N-(2,3-dihydroxypropyl)perfluorooctyl sulfonamide

C14H14F17NO4SCAS 2262-49-9615.30 g/mol

Open in Covalent MOL file
NOHOHSOOFFFFFFFFFFFFFFFFF
AlcoholAlkyl halideSulfonamide

Properties

Molecular formula
C14H14F17NO4S
Molar mass
615.30 g/mol
Exact mass
615.0372 Da
logP
4.35Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
13

Identifiers

CAS number
2262-49-9
SMILES
CCCN(CC(CO)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
JBUOTOPAJZUSGM-UHFFFAOYSA-N
InChI
InChI=1S/C14H14F17NO4S/c1-2-3-32(4-6(34)5-33)37(35,36)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6,33-34H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • N-Propyl-N-(2,3-dihydroxypropyl)perfluoro-n-octylsulfonamide

Work with N-N-Propyl-N-(2,3-dihydroxypropyl)perfluorooctyl sulfonamide

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

N-Ethylperfluorooctanesulfonamidoethanol1691-99-256 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol107650-06-641 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol94159-84-941 % similar Sulfluramid4151-50-240 % similar Tetraethylammonium perfluorooctanesulfonate56773-42-337 % similar Perfluorooctanesulfonic acid1763-23-135 % similar Perfluorohexanesulfonic acid355-46-435 % similar Perfluoroheptanesulfonic acid375-92-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook