CAS Registry Number: 56919-16-5

Name:

Benzenesulfonamide, 5-​bromo-​2-​methyl-
5-​Bromo-​2-​methylbenzenesulfona​mide 

Chemical Formula: C7H8BrNO2S
Exact Mass: 248.95
Molecular Weight: 250.11
m/z: 250.94 (100.0%), 248.95 (98.2%), 249.95 (8.4%), 251.95 (7.8%), 252.94 (4.4%), 251.94 (1.1%)
Elemental Analysis: C, 33.61; H, 3.22; Br, 31.95; N, 5.60; O, 12.79; S, 12.82

InChI: InChI=1S/C7H8BrNO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey: FXNSWDXUWUJLLI-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)Br)S(=O)(=O)N

Specification

98%

1. (1) Moroda, Atsushi; Tetrahedron 2006, V62(52), P12408-12414 CAPLUS
2. (2) Chen, Qiao-Hong; Bioorganic & Medicinal Chemistry 2005, V13(7), P2459-2468 CAPLUS