1-[4-chloro(2H4)benzenesulfonyl]-3-propylurea

• ChemBase ID: 164705
• Molecular Formular: C10H13ClN2O3S
• Molecular Mass: 276.73982
• Monoisotopic Mass: 276.03354097
• SMILES: c1c(ccc(c1)S(=O)(=O)NC(=O)NCCC)Cl
• Canonical SMILES: CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
• InChIKey: RKWGIWYCVPQPMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-chloro(^2H₄)benzenesulfonyl]-3-propylurea
• IUPAC Traditional name: 1-[4-chloro(^2H₄)benzenesulfonyl]-3-propylurea
• Synonyms: 4-Chloro-N-[(propylamino)carbonyl]benzenesulfonamide-d4; Adiaben-d4; Asucrol-d4; Catanil-d4; Chlorodiabina-d4; Chloronase-d4; Chloropropamide-d4; Chlorpropamid-d4; Diabaril-d4; Diabechlor-d4; Diabenal-d4; Diabenese-d4; Glisema-d4; Meldian-d4; Melitase-d4; Millinese-d4; N-(4-Chlorophenylsulfonyl)-N'-propylurea-d4; NSC 44634-d4; NSC 626720-d4; P 607-d4; Stabinol-d4; U 9818-d4; N-(p-Chlorobenzenesulfonyl)-N'-propylurea-d4; N-Propyl-N'-(p-chlorobenzenesulfonyl)urea-d4; Chlorpropamide-d4

Database IDs

• PubChem SID: 162258840
• PubChem CID: 71314838

CALCULATED PROPERTIES

• Acid pKa: 4.329167
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1719515
• LogD (pH = 7.4): 1.0013003
• Log P: 1.9413904
• Molar Refractivity: 65.4326 cm^3
• Polarizability: 26.168764 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C424802

Labelled Chlorpropamide, a sulfonylurea derivative. Chlorpropamide is a long acting hyopglycemic agent. Chlorpropamide is used in the treatment of diabetes metilus type 2. Chlorpropamide acts to increase the secretion of insulin and is not effective in pa

REFERENCES

• Turner, R.C. et al.: Diabetes, 27, 241 (1978)
• Grinnell, E.H. et al.: Am. J. Med. Sci., 253, 312 (1978)
• Taylor, J.A.: Clin. Pharmacol. Therap., 13, 710 (1978)