1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide

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 0.66 ALOGPS
logS -1.8 ALOGPS
Water Solubility 3.96e+00 g/l ALOGPS
logP 0.78 ChemAxon
IUPAC Name 1-methyl-3-oxo-1,3-dihydro-2,1-benzothiazole-5-sulfonamide ChemAxon
Traditional IUPAC Name 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide ChemAxon
Molecular Weight 244.291 ChemAxon
Monoisotopic Weight 243.997633512 ChemAxon
SMILES CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O ChemAxon
Molecular Formula C8H8N2O3S2 ChemAxon
InChI InChI=1S/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13) ChemAxon
InChIKey InChIKey=DFPYCCVFXMWMJM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 80.47 ChemAxon
Refractivity 69.22 ChemAxon
Polarizability 22.8 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 10.07 ChemAxon
pKa (strongest basic) -5.2 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Carbonic anhydrase 2 : in Human