1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.

Sulfanilides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Sulfanilides

Calculated Property

kind Value Source
logP 0.16 ALOGPS
logS -1.5 ALOGPS
Water Solubility 6.34e+00 g/l ALOGPS
logP -0.2 ChemAxon
IUPAC Name 5-phenyl-1λ⁶,2,5-thiadiazolidine-1,1,3-trione ChemAxon
Traditional IUPAC Name 5-phenyl-1λ⁶,2,5-thiadiazolidine-1,1,3-trione ChemAxon
Molecular Weight 212.226 ChemAxon
Monoisotopic Weight 212.025562822 ChemAxon
SMILES O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1 ChemAxon
Molecular Formula C8H8N2O3S ChemAxon
InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11) ChemAxon
InChIKey InChIKey=LDCZCUKQWRZSDT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.48 ChemAxon
Refractivity 49.42 ChemAxon
Polarizability 19.36 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 3.78 ChemAxon
Physiological Charge -1 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

  • Tyrosine-protein phosphatase non-receptor type 1 : in Human