1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

Benzenesulfonamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzenesulfonamides

Calculated Property

kind Value Source
logP 1.68 ALOGPS
logS -3.4 ALOGPS
Water Solubility 1.89e-01 g/l ALOGPS
logP 1.51 ChemAxon
IUPAC Name 1-(2,6-difluorobenzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine ChemAxon
Traditional IUPAC Name 1-(2,6-difluorobenzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine ChemAxon
Molecular Weight 460.472 ChemAxon
Monoisotopic Weight 460.057434108 ChemAxon
SMILES FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1 ChemAxon
Molecular Formula C18H18F2N2O6S2 ChemAxon
InChI InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2 ChemAxon
InChIKey InChIKey=SHWNKRPMUBFWKE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 93.22 ChemAxon
Refractivity 103.47 ChemAxon
Polarizability 42.49 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -4.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Pyruvate kinase PKM : in Human