| CAS Number | 554407-06-6 |
| Catalog Number | AG00DBFB |
| Chemical Name | 2-Chloro-N-(2-(diethylamino)-5-(morpholinosulfonyl)phenyl)acetamide |
| IUPAC Name | 2-chloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide |
| InChI | InChI=1S/C16H24ClN3O4S/c1-3-19(4-2)15-6-5-13(11-14(15)18-16(21)12-17)25(22,23)20-7-9-24-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,21) |
| InChI Key | VBCHOURZCIUIHA-UHFFFAOYSA-N |
| MDL Number | MFCD03970391 |
| Molecular Formula | C16H24ClN3O4S |
| Molecular Weight | 389.8975 |
| SMILES | O=C(NC1=CC(S(=O)(N2CCOCC2)=O)=CC=C1N(CC)CC)CCl |
| Synonyms | 2-Chloro-N-[2-diethylamino-5-(morpholine-4-sulfonyl)-phenyl]-acetamide,
554407-06-6,
2-chloro-N-[2-(diethylamino)-5-(morpholine-4-sulfonyl)phenyl]acetamide,
2-Chloro-N-(2-(diethylamino)-5-(morpholinosulfonyl)phenyl)acetamide,
AC1MZG1S,
AC1Q2YYF,
CTK6E7403,
ZINC3885294,
AKOS000115561,
MCULE-8584333093,
NE12720,
UPCMLD0ENAT0515-0130:001,
EN300-01867,
J-509119,
2-chloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide,
ZINC03885294,
CID3847479,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.895g/mol |
| Monoisotopic Mass | 389.118g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number