Cas no 1027-87-8 (tolpentamide)

tolpentamide structure
tolpentamide structure
Product Name:tolpentamide
CAS No:1027-87-8
MF:C13H18N2O3S
MW:282.358622074127
CID:150250
PubChem ID:3083671
Update Time:2025-04-19

tolpentamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,N-[(cyclopentylamino)carbonyl]-4-methyl-
    • 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea
    • tolpentamide
    • AC1MJ11Z
    • AC1Q2LL5
    • DSSTox_CID_26395
    • DSSTox_GSID_46395
    • DSSTox_RID_81575
    • N-cyclopentyl-N'-(toluene-4-sulfonyl)-urea
    • N-Cyclopentyl-N'-(toluol-4-sulfonyl)-harnstoff
    • N-p-Tolylsulfonyl-N'-cyclopentyl-harnstoff
    • Tolpentamid
    • Tolpentamide [INN:BAN]
    • 1-CYCLOPENTYL-3-(P-TOSYL)UREA
    • 1-Cyclopentyl-3-p-tolylsulfonylurea
    • N-[(Cyclopentylamino)carbonyl]-4-methylbenzenesulfonamide
    • CAS-1027-87-8
    • SR-01000944911
    • NS00125305
    • N-(4-Methylbenzolsulfonyl)-N'-cyclopentylharnstoff
    • Oprea1_524931
    • 1027-87-8
    • CHEMBL2107629
    • SR-01000944911-1
    • Q27259545
    • SCHEMBL2109411
    • DTXSID6046395
    • DTXCID4026395
    • AKOS024337774
    • 1-({[(cyclopentylamino)carbonyl]amino}sulfonyl)-4-methylbenzene
    • 4G278XM8KC
    • UNII-4G278XM8KC
    • TOLPENTAMIDE [INN]
    • NCGC00164498-02
    • NCGC00164498-01
    • Tox21_112136_1
    • Tox21_112136
    • Inchi: 1S/C13H18N2O3S/c1-10-6-8-12(9-7-10)19(17,18)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)
    • InChI Key: SHVCKTUQDUTJDT-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(NC(NC1CCCC1)=O)(=O)=O

Computed Properties

  • Exact Mass: 282.10394
  • Monoisotopic Mass: 282.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 402
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 83.6A^2

Experimental Properties

  • Density: 1.2378 (rough estimate)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.6360 (estimate)
  • PSA: 75.27
  • LogP: 3.60160
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