| CAS Number | 328028-84-8 |
| Catalog Number | AG00I69J(AGN-PC-0WQYGH) |
| Chemical Name | 2,5-Dimethyl-1-[3-(morpholine-4-sulfonyl)-phenyl]-1h-pyrrole-3-carbaldehyde |
| IUPAC Name | 2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrole-3-carbaldehyde |
| InChI | InChI=1S/C17H20N2O4S/c1-13-10-15(12-20)14(2)19(13)16-4-3-5-17(11-16)24(21,22)18-6-8-23-9-7-18/h3-5,10-12H,6-9H2,1-2H3 |
| InChI Key | VHMOKYXRNWLZBO-UHFFFAOYSA-N |
| MDL Number | MFCD02704658 |
| Molecular Formula | C17H20N2O4S |
| Molecular Weight | 348.4167 |
| SMILES | O=Cc1cc(n(c1C)c1cccc(c1)S(=O)(=O)N1CCOCC1)C |
| Synonyms | 328028-84-8,
2,5-Dimethyl-1-[3-(morpholine-4-sulfonyl)-phenyl]-1H-pyrrole-3-carbaldehyde,
2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1H-pyrrole-3-carbaldehyde,
AC1M4YBH,
AC1Q2IHO,
Oprea1_466711,
CTK7H8964,
ZINC3186088,
2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrole-3-carbaldehyde,
MFCD02704658,
AKOS000121650,
MCULE-9700530632,
NE46250,
EN300-00971,
CID2318101,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.417g/mol |
| Monoisotopic Mass | 348.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number