4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide

Base Information

• Chemical Name: 4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide
• CAS No.: 636-54-4
• Molecular Formula: C14H20ClN3O3S
• Molecular Weight: 345.85
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID1022847
• Wikidata: Q5135114
• ChEMBL ID: CHEMBL1361347
• Mol file: 636-54-4.mol

Synonyms:Chlosudimeprimylum;MLS000551289;DTXSID1022847;SMR000145215;DT-327;4-Chloro-N-(2,6-dimethyl-piperidin-1-yl)-3-sulfamoyl-benzamide;Chlorsudimeprimyl;NCGC00016527-01;3563-77-7;CAS-636-54-4;Spectrum_001568;Opera_ID_864;4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide;Prestwick0_000354;Prestwick1_000354;Prestwick2_000354;Spectrum2_001595;Spectrum3_001891;Spectrum4_000207;Spectrum5_001563;D0S2JI;Oprea1_353822;BSPBio_003422;KBioGR_000813;KBioSS_002048;Adurix;Aquex;Brinaldix;Chlosudimeprimyl;Clopamidum;DT 327;MLS001201776;MLS006010787;DivK1c_000946;SCHEMBL124598;SPECTRUM1503919;SPBio_001590;SPBio_002368;Benzamide, 4-chloro-N-(2,6-dimethylpiperidino)-3-sulfamoyl-, cis-;DTXCID802847;CHEMBL1361347;CHEBI:95210;HMS502P08;KBio1_000946;KBio2_002048;KBio2_004616;KBio2_007184;KBio3_002925;LBXHRAWDUMTPSE-UHFFFAOYSA-N;NINDS_000946;HMS1569G09;HMS2093K21;HMS2233P13;HMS3371C11;HMS3374M01;Tox21_110475;BDBM50237613;CCG-39373;1-6-Hexamethylene-bis-(3-benzylquinuclidium)chloride tetrahydrate Qualidil;AKOS024374908;IDI1_000946;NCGC00016527-03;NCGC00018272-02;NCGC00018272-03;NCGC00096000-01;NCGC00096000-02;SBI-0051860.P002;FT-0603202;SW196897-2;SR-01000675440;Q5135114;SR-01000675440-2;BRD-A85651701-001-03-1;4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide;4-Chloro-N-(cis-2,6-dimethylpiperidino)-3-sulfamoylbenzamide;3-(aminosulfonyl)-4-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide;3-(Aminosulfonyl)-4-chloro-N-(2,6-dimethyl-1-piperidinyl)benzamide-, cis-

Chemical Property of 4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide

Chemical Property:

• Appearance/Colour: White to yellowish crystalline powder
• Melting Point: 244-246 °C
• Refractive Index: 1.613
• PKA: 9.41±0.60(Predicted)
• PSA: 100.88000
• Density: 1.39 g/cm³
• LogP: 4.00500
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 345.0913904
• Heavy Atom Count: 22
• Complexity: 498

Purity/Quality:

99%, ^*data from raw suppliers

Clopamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42/43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C
• Uses: Antihypertensive; diuretic. Antihypertensor;Gonad stimuling agent Clopamide is a thiazide-like diuretic that inhibits sodium/chloride cotransporters in the proximal convoluted tubule of the kidney, which prevents the reabsorption of sodium and chloride. This compound is intended for research purposes only.
• Therapeutic Function: Diuretic, Antihypertensive

Technology Process of 4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide

There total 2 articles about 4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ clopamide (636-54-4)

Guidance literature:

Eintragen von 4-Chlor-3-sulfamyl-benzoylchlorid in eine Lsg. von 1-Amino-cis-2,6-dimethyl-piperidin in CHCl3/Triethylamin;

DOI:10.1002/hlca.19620450705

Reference yield:

→ ZIN(057)C00235 (636-54-4,3563-77-7,17163-61-0)

Guidance literature:

Eintragen von 4-Chlor-3-sulfamyl-benzoylchlorid in eine Lsg. von 1-Amino-trans-2,6-dimethyl-piperidin in CHCl3/Triethylamin (Raumtemp.);

DOI:10.1002/hlca.19620450705

Reference yield:

clopamide (636-54-4) → ({6-[2-Chloro-5-((2S,6R)-2,6-dimethyl-piperidin-1-ylcarbamoyl)-benzenesulfonylaminocarbonyl]-naphthalen-2-yl}-difluoro-methyl)-phosphonic acid

Guidance literature:

Multi-step reaction with 2 steps

1: EDCI; DMAP

2: TFA

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid;

DOI:10.1016/S0960-894X(03)00635-8