1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]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 1.33 ALOGPS
logS -3.5 ALOGPS
Water Solubility 1.60e-01 g/l ALOGPS
logP 1.07 ChemAxon
IUPAC Name 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(4-methoxybenzenesulfonyl)piperazine ChemAxon
Traditional IUPAC Name 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-(4-methoxybenzenesulfonyl)piperazine ChemAxon
Molecular Weight 454.517 ChemAxon
Monoisotopic Weight 454.086842448 ChemAxon
SMILES COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1 ChemAxon
Molecular Formula C19H22N2O7S2 ChemAxon
InChI InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3 ChemAxon
InChIKey InChIKey=HMGDKYUJSFVHIY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 102.45 ChemAxon
Refractivity 109.5 ChemAxon
Polarizability 45.3 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -4.4 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