Cas no 2364-87-6 (Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-)

Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl- structure
2364-87-6 structure
Product Name:Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-
CAS No:2364-87-6
MF:C14H21ClN2O3S
MW:332.846141576767
CID:255661
PubChem ID:73094
Update Time:2025-04-19

Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-
    • TLCK
    • TOS-LYS-CMK
    • N-p-Tosyl-L-lysyl chloromethyl ketone
    • N-Tosyl-L-lysine chloromethyl ketone
    • TOS-LYS-CHLOROMETHYLKETONE HCL
    • TOS-LYS-CMK HCL
    • Tosyl-L-lysine chloromethyl ketone
    • TOSYL-L-LYSINE CHLOROMETHYLKETONE HCL
    • TOSYL-L-LYSYL-CHLOROMETHANE HCL
    • NCGC00016045-01
    • BDBM50354886
    • CCG-205254
    • Benzenesulfonamide, N-((1S)-5-amino-1-(chloroacetyl)pentyl)-4-methyl-
    • Benzenesulfonamide, N-(5-amino-1-(chloroacetyl)pentyl)-4-methyl-, (S)-
    • CHEBI:9640
    • Lopac0_001180
    • N-Tosyl-Lys-chloromethylketone
    • C00896
    • Q27097802
    • tosyl-lysylchloromethane
    • SDCCGSBI-0051147.P003
    • PD004288
    • SCHEMBL200247
    • CHEMBL466465
    • p-Toluenesulfonamide, N-(5-amino-1-(chloroacetyl)pentyl)-, L-
    • Tosyl-L-lysyl-chloromethane
    • (S)-N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide
    • NS00068582
    • NCGC00162359-07
    • NCGC00162359-01
    • Lopac-T-7254
    • (-)-1-Chloro-3-tosylamido-7-amino-2-heptanone
    • alpha-Tosyl-L-lysylchloromethyl ketone
    • n-[(3s)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide
    • Tos-Lys-CH2Cl
    • N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-benzenesulfonamide
    • Tosyllysyl chloromethyl ketone
    • DTXSID7048459
    • N-alpha-p-Tosyl-L-lysine chloromethyl ketone
    • DB08603
    • NCGC00162359-02
    • N.alpha.-pTosyl-L-lysine chloromethylketone
    • Chloromethane, Tosyllysyl
    • 2364-87-6
    • BRN 2885388
    • TOSYLLYSINE CHLOROMETHYL KETONE
    • Benzenesulfonamide, N-[5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-
    • N-[(1s)-5-Amino-1-(Chloroacetyl)pentyl]-4-Methylbenzenesulfonamide
    • N-alpha-Tosyl-L-lysyl-chloromethylketone
    • Inchi: 1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
    • InChI Key: RDFCSSHDJSZMTQ-ZDUSSCGKSA-N
    • SMILES: ClCC([C@H](CCCCN)NS(C1C=CC(C)=CC=1)(=O)=O)=O

Computed Properties

  • Exact Mass: 368.07300
  • Monoisotopic Mass: 332.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 414
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.6A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.1784 (rough estimate)
  • Melting Point: ~165?°C (dec.)
  • Boiling Point: 144°C (rough estimate)
  • Flash Point: 262.1°C
  • Refractive Index: 1.5630 (estimate)
  • Solubility: H2O: 50?mg/mL
  • PSA: 97.64000
  • LogP: 4.55280

Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:10-21
  • RTECS:XT5160000
  • Hazardous Material Identification: Xi
  • Safety Term:KETONES;KETONES
  • Risk Phrases:R36/37/38
  • Storage Condition:2-8°C

Benzenesulfonamide,N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl- Related Literature

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