N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide
• CAS No.: 329-30-6
• Molecular Formula: C17H18 Cl N O3 S
• Molecular Weight: 351.854
• Hs Code.: 2935009090
• NSC Number: 89167
• DSSTox Substance ID: DTXSID20926571
• Nikkaji Number: J1.902.287K
• Mol file: 329-30-6.mol

Synonyms:329-30-6;N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide;Tos-Phe-chloromethylketone;C17H18ClNO3S;n-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide;L-1-Tosylamide-2-phenylethylchloromethyl Ketone;NSC 89167;1-chloro-3-tosylamido-4-phenyl-2-butanone;Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-;C17-H18-Cl-N-O3-S;Tosylphenylalanyl chloromethyl ketone, (L)-;Chlorophenyltosylamidobutanone;SCHEMBL441444;Tosylphenylalanyl Chloromethane;T.P.C.K.;DTXSID20926571;NPE1244;MQUQNUAYKLCRME-UHFFFAOYSA-N;Tosyl-L-phenylalanyl-chloromethane;130021-38-4;NSC89167;NSC-89167;AKOS024370910;tosyl-l-phenylalanyl chloromethyl ketone;NCI60_041981;LS-154112;FT-0627626;(S)-1-Chloro-3-tosylamido-4-phenyl-2-butanone;(S)-1-Chloro-4-phenyl-3-tosylamido-2-butanone;J-018945;N-(1-Benzyl-3-chloro-2-oxopropyl)-p-toluenesulfonamide;N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzene-1-sulfonamide

Chemical Property of N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide

Chemical Property:

• Melting Point: 106-108 °C(lit.)
• Boiling Point: 509.9°Cat760mmHg
• Flash Point: 262.2°C
• PSA: 71.62000
• Density: 1.277g/cm³
• LogP: 4.16420
• Storage Temp.: −20°C
• Solubility.: DMSO: >10 mg/mL stable for several months at 4°C.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 351.0695923
• Heavy Atom Count: 23
• Complexity: 475

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl