| CAS Number | 1173052-99-7 |
| Catalog Number | AG008U6Q |
| Chemical Name | N-[4-Chloro-3-(morpholin-4-ylsulfonyl)phenyl]-2-(methylamino)acetamide hydrochloride |
| IUPAC Name | N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(methylamino)acetamide;hydrochloride |
| InChI | InChI=1S/C13H18ClN3O4S.ClH/c1-15-9-13(18)16-10-2-3-11(14)12(8-10)22(19,20)17-4-6-21-7-5-17;/h2-3,8,15H,4-7,9H2,1H3,(H,16,18);1H |
| InChI Key | ILXAIOIDNVXRPN-UHFFFAOYSA-N |
| MDL Number | MFCD08448134 |
| Molecular Formula | C13H19Cl2N3O4S |
| Molecular Weight | 384.2787 |
| SMILES | Cl.CNCC(NC1=CC(S(N2CCOCC2)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | N-[4-chloro-3-(morpholin-4-ylsulfonyl)phenyl]-2-(methylamino)acetamide hydrochloride,
1173052-99-7,
N-(4-Chloro-3-(morpholinosulfonyl)phenyl)-2-(methylamino)acetamide hydrochloride,
N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]-2-(methylamino)acetamide hydrochloride,
AC1Q3BQY,
CTK6I5163,
NE21866,
EN300-07563,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.272g/mol |
| Monoisotopic Mass | 383.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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