2,5-DICHLORO-N-(5-CHLORO-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 4.18 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.88e-02 g/l ALOGPS
logP 4.3 ChemAxon
IUPAC Name 2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzene-1-sulfonamide ChemAxon
Traditional IUPAC Name 2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide ChemAxon
Molecular Weight 377.63 ChemAxon
Monoisotopic Weight 375.924295911 ChemAxon
SMILES ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1 ChemAxon
Molecular Formula C13H7Cl3N2O3S ChemAxon
InChI InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18) ChemAxon
InChIKey InChIKey=JCXZHFCBNFFHRC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 72.2 ChemAxon
Refractivity 83.44 ChemAxon
Polarizability 33.15 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.58 ChemAxon
pKa (strongest basic) -2.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

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