| CAS Number | 872107-76-1 |
| Catalog Number | AG00GUHG |
| Chemical Name | N-[5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloroacetamide |
| IUPAC Name | N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloroacetamide |
| InChI | InChI=1S/C15H21ClN2O4S/c1-22-14-7-6-12(10-13(14)17-15(19)11-16)23(20,21)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19) |
| InChI Key | BGQZHQYOHAZNRK-UHFFFAOYSA-N |
| MDL Number | MFCD07686046 |
| Molecular Formula | C15H21ClN2O4S |
| Molecular Weight | 360.8562 |
| SMILES | COC1=CC=C(C=C1NC(=O)CCl)S(=O)(=O)N1CCCCCC1 |
| Synonyms | N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloroacetamide,
872107-76-1,
N-[5-(azepane-1-sulfonyl)-2-methoxyphenyl]-2-chloroacetamide,
N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-chloroacetamide,
AC1OFLC3,
AC1Q45RT,
CTK6H5374,
ZINC4218773,
AKOS001183806,
MCULE-2794291664,
NE17446,
UPCMLD0ENAT5455316:001,
EN300-15133,
J-523348,
ZINC04218773,
CID7131389,
|
| Complexity | 486 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.853g/mol |
| Monoisotopic Mass | 360.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number