| CAS Number | 885531-23-7 |
| Catalog Number | AG00GUE7 |
| Chemical Name | 2-(Azepan-1-yl)-5-(morpholinosulfonyl)aniline |
| IUPAC Name | 2-(azepan-1-yl)-5-morpholin-4-ylsulfonylaniline |
| InChI | InChI=1S/C16H25N3O3S/c17-15-13-14(23(20,21)19-9-11-22-12-10-19)5-6-16(15)18-7-3-1-2-4-8-18/h5-6,13H,1-4,7-12,17H2 |
| InChI Key | YCQBQUCVWVMBNY-UHFFFAOYSA-N |
| MDL Number | MFCD08444217 |
| Molecular Formula | C16H25N3O3S |
| Molecular Weight | 339.4530 |
| SMILES | NC1=CC(S(=O)(N2CCOCC2)=O)=CC=C1N3CCCCCC3 |
| Synonyms | 2-azepan-1-yl-5-(morpholin-4-ylsulfonyl)aniline,
885531-23-7,
2-(azepan-1-yl)-5-(morpholine-4-sulfonyl)aniline,
2-(Azepan-1-yl)-5-(morpholinosulfonyl)aniline,
AC1Q50SX,
CTK7D5698,
ZINC9477676,
AKOS001283853,
MCULE-3126037896,
NE25490,
EN300-24074,
J-508093,
2-Azepane-1-yl-5-(morpholine-4-ylsulfonyl)-aniline,
Z212046158,
|
| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.454g/mol |
| Monoisotopic Mass | 339.162g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number