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5-(2-Chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide , CAS No.5541-92-4
Basic Description
Synonyms
Chlorzolamide | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide | 1,3,4-Thiadiazole-2-sulfonamide, 5-(2-chlorophenyl)- | J1RC4Y1VF0 | CL-13580 | 3dcc | D9Z | Chlorzolamide, CHL | 3d9z | CL 13,580 | 2-(o-Chlorophenyl)thiadiazole-5-sulfonamide | UNII-J1R
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiadiazoles
Intermediate Tree Nodes
Not available
Direct Parent
Thiadiazole sulfonamides
Alternative Parents
Chlorobenzenes Organosulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,3,4-thiadiazole-2-sulfonamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiadiazole sulfonamides. These are heterocyclic compounds containing a thiazole ring substituted by at least one sulfonamide group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
INCHI
InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
InChIKey
PZVGOWIIHCUHAO-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C2=NN=C(S2)S(=O)(=O)N)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C2=NN=C(S2)S(=O)(=O)N)Cl
Molecular Weight
275.7
Reaxy-Rn
7765470
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7765470&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
275.700 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
274.959 Da
Monoisotopic Mass
274.959 Da
Topological Polar Surface Area
123.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
346.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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