benzolamide   Click here for help

GtoPdb Ligand ID: 6920

PDB Ligand
Compound class: Synthetic organic
Comment: An experimental carbonic anhydrase inhibitor
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 177.11
Molecular weight 319.97
XLogP 0.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N
Isomeric SMILES O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N
InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
InChI Key PWDGTQXZLNDOKS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(phenylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Database Links Click here for help
CAS Registry No. 3368-13-6 (source: SciFinder)
ChEMBL Ligand CHEMBL73962
GtoPdb PubChem SID 178103502
PubChem CID 18794
RCSB PDB Ligand D8W
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