Cas no 329-30-6 (Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-)

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- structure
329-30-6 structure
Product Name:Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
CAS No:329-30-6
MF:C17H18ClNO3S
MW:351.847722530365
CID:307272
PubChem ID:9824
Update Time:2025-04-19

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
    • L -1-TOSYLAMIDE-2-PHENYLETHYL-CHLOROMETHYL KETONE
    • TPCK
    • L-1-CHLORO-3-TOSYLAMIDO-4-PHENYL-2-BUTANONE
    • L-1-p-tosylamino-2-phenylethyl chloro-methyl ketone
    • N-TOSYLAMIDE PHENETHYL CHLOROMETH
    • N-tosyl-L-phenylalanine chloromethylketone
    • N-tosyl-L-phenylalanyl chloromethylketone
    • N-TOSYL-PHE-CHLOROMETHYLKETONE
    • TOS-PHE-CHLOROMETHYLKETONE
    • TOS-PHE-CMK
    • tosyl phenylalanine chloromethyl ketone
    • tosyl phenylalanyl chloromethyl ketone
    • TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE
    • TOSYL-L-PHENYLALANYL-CHLOROMETHANE
    • 329-30-6
    • NPE1244
    • 1-chloro-3-tosylamido-4-phenyl-2-butanone
    • N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide
    • FT-0627626
    • (S)-1-Chloro-4-phenyl-3-tosylamido-2-butanone
    • Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-
    • SY075507
    • n-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
    • tosyl-l-phenylalanyl chloromethyl ketone
    • N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzene-1-sulfonamide
    • MFCD00000935
    • L-1-Tosylamide-2-phenylethylchloromethyl Ketone
    • NSC 89167
    • (S)-1-Chloro-3-tosylamido-4-phenyl-2-butanone
    • LS-14569
    • SCHEMBL441444
    • DTXSID20926571
    • NSC89167
    • 130021-38-4
    • NS00043751
    • Tosylphenylalanyl chloromethyl ketone, (L)-
    • J-018945
    • NCI60_041981
    • MQUQNUAYKLCRME-UHFFFAOYSA-N
    • T.P.C.K.
    • NSC-89167
    • AKOS024370910
    • Inchi: 1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
    • InChI Key: MQUQNUAYKLCRME-UHFFFAOYSA-N
    • SMILES: ClCC(C(CC1C=CC=CC=1)NS(C1C=CC(C)=CC=1)(=O)=O)=O

Computed Properties

  • Exact Mass: 351.07000
  • Monoisotopic Mass: 351.07
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 7
  • Complexity: 475
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.6
  • Topological Polar Surface Area: 71.6A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.277
  • Melting Point: 106-108?°C(lit.)
  • Boiling Point: 509.9°Cat760mmHg
  • Flash Point: 262.2°C
  • Solubility: DMSO: >10?mg/mL stable for several months at 4°C.
  • PSA: 71.62000
  • LogP: 4.16420
  • Solubility: Not available

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- Security Information

  • WGK Germany:3
  • Hazard Category Code: 37/38-41
  • Safety Instruction: S26; S36
  • FLUKA BRAND F CODES:10-19-21
  • RTECS:XT5613500
  • Hazardous Material Identification: Xi
  • Risk Phrases:R37/38; R41
  • Storage Condition:?20°C

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- Pricemore >>

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