| CAS Number | 568551-66-6 |
| Catalog Number | AG019HZG |
| Chemical Name | 5-(azepane-1-sulfonyl)-2-methoxyaniline |
| IUPAC Name | 5-(azepan-1-ylsulfonyl)-2-methoxyaniline |
| InChI | InChI=1S/C13H20N2O3S/c1-18-13-7-6-11(10-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3 |
| InChI Key | XFSQZKURNBFQQB-UHFFFAOYSA-N |
| MDL Number | MFCD03968072 |
| Molecular Formula | C13H20N2O3S |
| Molecular Weight | 284.3745 |
| SMILES | COC1=C(N)C=C(S(N2CCCCCC2)(=O)=O)C=C1 |
| Synonyms | 5-(azepane-1-sulfonyl)-2-methoxyaniline,
568551-66-6,
5-(Azepane-1-sulfonyl)-2-methoxy-phenylamine,
AC1MN7YF,
AC1Q4C4U,
MLS001003174,
CHEMBL1897540,
CTK7A6588,
HMS2725N23,
ZINC3886272,
SBB042598,
AKOS000271064,
MCULE-9724757135,
NE26070,
SMR000372819,
5-(azepan-1-ylsulfonyl)-2-methoxyaniline,
EN300-05182,
5-(azaperhydroepinylsulfonyl)-2-methoxyphenylamine,
Z56893182,
ZINC03886272,
CID3273476,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.374g/mol |
| Monoisotopic Mass | 284.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number