| CAS Number | 785792-29-2 |
| Catalog Number | AG019JYK |
| Chemical Name | 2-(Chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole |
| IUPAC Name | 4-[2-(chloromethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine |
| InChI | InChI=1S/C14H18ClN3O3S/c1-2-18-13-4-3-11(9-12(13)16-14(18)10-15)22(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,10H2,1H3 |
| InChI Key | NYHTVVUCHJDWKV-UHFFFAOYSA-N |
| MDL Number | MFCD06350981 |
| Molecular Formula | C14H18ClN3O3S |
| Molecular Weight | 343.829 |
| SMILES | ClCc1nc2c(n1CC)ccc(c2)S(=O)(=O)N1CCOCC1 |
| Synonyms | 2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole,
2-(chloromethyl)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1H-benzimidazole,
785792-29-2,
AC1MVTXV,
AC1Q2ZZ7,
MLS002251213,
CHEMBL1725514,
CTK6H6903,
HMS3084G24,
ZINC6119739,
AKOS030694877,
MCULE-3154278003,
NE13172,
SMR001313636,
EN300-10736,
SR-01000057096,
SR-01000057096-1,
4-[2-(chloromethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine,
ZINC06119739,
CID3713514,
|
| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.826g/mol |
| Monoisotopic Mass | 343.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number