| CAS Number | 1000932-87-5 |
| Catalog Number | AG019LC4 |
| Chemical Name | N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide |
| IUPAC Name | N-(2-chloroacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide |
| InChI | InChI=1S/C12H16ClN3O5S/c1-15-8-9(6-10(15)12(18)14-11(17)7-13)22(19,20)16-2-4-21-5-3-16/h6,8H,2-5,7H2,1H3,(H,14,17,18) |
| InChI Key | NPNTTXBIIUFHFT-UHFFFAOYSA-N |
| MDL Number | MFCD09863411 |
| Molecular Formula | C12H16ClN3O5S |
| Molecular Weight | 349.7905 |
| SMILES | CN1C(C(NC(CCl)=O)=O)=CC(S(N2CCOCC2)(=O)=O)=C1 |
| Synonyms | N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide,
1000932-87-5,
N-(chloroacetyl)-1-methyl-4-(morpholin-4-ylsulfonyl)-1H-pyrrole-2-carboxamide,
AC1Q3YRG,
SCHEMBL19888976,
CTK6H5180,
ZINC20281638,
AKOS030743677,
MCULE-4409122027,
NE36128,
EN300-30762,
2-chloro-N-[1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carbonyl]acetamide,
|
| Complexity | 529 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.786g/mol |
| Monoisotopic Mass | 349.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number