| CAS Number | 349404-81-5 |
| Catalog Number | AG01DFQB(AGN-PC-0K0EWW) |
| Chemical Name | 4-bromo-N-[(2-methoxyphenyl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 4-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide |
| InChI | InChI=1S/C14H14BrNO3S/c1-19-14-5-3-2-4-11(14)10-16-20(17,18)13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3 |
| InChI Key | SORCAYOUDXTQGH-UHFFFAOYSA-N |
| MDL Number | MFCD01215051 |
| Molecular Formula | C14H14BrNO3S |
| Molecular Weight | 356.2349 |
| SMILES | COc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 |
| Synonyms | 4-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide,
349404-81-5,
Cerep_002001,
AC1LLY1Z,
Oprea1_331960,
Oprea1_447331,
HMS532E03,
ZINC813064,
STK060510,
AKOS000383611,
MCULE-9882496546,
BAS 02173074,
ST042909,
CS-0061933,
4-bromo-N-(2-methoxybenzyl)benzenesulfonamide,
4-Bromo-N-(2-methoxy-benzyl)-benzenesulfonamide,
4-bromo-N-(2-methoxybenzyl)-1-benzenesulfonamide,
Z45543128,
[(4-bromophenyl)sulfonyl][(2-methoxyphenyl)methyl]amine,
4-bromo-N-[(2-methoxyphenyl)methyl]benzene-1-sulfonamide,
CID1092302,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.234g/mol |
| Monoisotopic Mass | 354.988g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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