2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE

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 4.46 ALOGPS
logS -4.3 ALOGPS
Water Solubility 2.37e-02 g/l ALOGPS
logP 4.41 ChemAxon
IUPAC Name 2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzene-1-sulfonamide ChemAxon
Traditional IUPAC Name 2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide ChemAxon
Molecular Weight 480.321 ChemAxon
Monoisotopic Weight 479.010946709 ChemAxon
SMILES COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1 ChemAxon
Molecular Formula C20H15Cl2N3O5S ChemAxon
InChI InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25) ChemAxon
InChIKey InChIKey=KOKQLKWXOFRTHE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 103.55 ChemAxon
Refractivity 114.86 ChemAxon
Polarizability 44.89 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.58 ChemAxon
pKa (strongest basic) 2.29 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Fructose-1,6-bisphosphatase 1 : in Human