4-chlorobenzene-1,3-disulfonamide

• ChemBase ID: 126631
• Molecular Formular: C6H7ClN2O4S2
• Molecular Mass: 270.71378
• Monoisotopic Mass: 269.95357639
• SMILES: O=S(=O)(c1cc(ccc1Cl)S(=O)(=O)N)N
• Canonical SMILES: Clc1ccc(cc1S(=O)(=O)N)S(=O)(=O)N
• InChI: InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)
• InChIKey: NENBAISIHCWPKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorobenzene-1,3-disulfonamide
• IUPAC Traditional name: salco
• Synonyms: Clofenamide; 4-chlorobenzene-1,3-disulfonamide; 4-Chloro-1,3-benzenedisulfonamide; 4-Chloro-m-benzenedisulfonamide; 4-Chlorobenzene-1,3-disulfonamide; Aponiere; Aquedux; Clofenamidum; Diumide; Diuretic 2822; Eleklin; Frictan; Haflutan; Indigatin; Macashi; Monochlorphenamide; Salco; Saltron; Salzen; Soluran

Database IDs

• CAS Number: 671-95-4
• MDL Number: MFCD00210257
• PubChem SID: 162220961
• PubChem CID: 69594
• ATC CODE: C03BA07
• Chemspider ID: 62797
• KEGG ID: D01822
• Unique Ingredient Identifier: 582ILN204B
• Wikipedia Title: Clofenamide

CALCULATED PROPERTIES

• Acid pKa: 8.588179
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.21096192
• LogD (pH = 7.4): -0.23492041
• Log P: -0.21064797
• Molar Refractivity: 55.1786 cm^3
• Polarizability: 23.056322 Å^3
• Polar Surface Area: 120.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.391

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - C585600

Clofenamide is used as a diuretic agent.

REFERENCES

• Horstmann, H., et al.: Arzneim.-Forsch., 17, 653 (1967)