2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide

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 1.31 ALOGPS
logS -2.9 ALOGPS
Water Solubility 3.46e-01 g/l ALOGPS
logP 0.93 ChemAxon
IUPAC Name 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole-5-sulfonamide ChemAxon
Traditional IUPAC Name 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole-5-sulfonamide ChemAxon
Molecular Weight 280.326 ChemAxon
Monoisotopic Weight 280.0088669 ChemAxon
SMILES NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1 ChemAxon
Molecular Formula C10H8N4O2S2 ChemAxon
InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16) ChemAxon
InChIKey InChIKey=KGMVTZZDGKDTEU-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 101.73 ChemAxon
Refractivity 77.06 ChemAxon
Polarizability 27.26 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.29 ChemAxon
pKa (strongest basic) 2.67 ChemAxon
Physiological Charge 0 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

  • Carbonic anhydrase 2 : in Human