| CAS Number | 727704-70-3 |
| Catalog Number | AG019IKM |
| Chemical Name | 2-ethoxy-5-(piperidine-1-sulfonyl)aniline |
| IUPAC Name | 2-ethoxy-5-piperidin-1-ylsulfonylaniline |
| InChI | InChI=1S/C13H20N2O3S/c1-2-18-13-7-6-11(10-12(13)14)19(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3 |
| InChI Key | DXACFDKIJJJJID-UHFFFAOYSA-N |
| MDL Number | MFCD04618150 |
| Molecular Formula | C13H20N2O3S |
| Molecular Weight | 284.3745 |
| SMILES | CCOC1=C(N)C=C(S(N2CCCCC2)(=O)=O)C=C1 |
| Synonyms | 2-ethoxy-5-(piperidine-1-sulfonyl)aniline,
2-ethoxy-5-(piperidin-1-ylsulfonyl)aniline,
727704-70-3,
AC1MXJLY,
AC1Q37GO,
CTK6G2455,
ZINC3886795,
AKOS008966986,
MCULE-7945865516,
NE12913,
2-ethoxy-5-piperidin-1-ylsulfonylaniline,
EN300-06991,
SR-01000046388,
SR-01000046388-1,
Z56939173,
ZINC03886795,
CID3766663,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.374g/mol |
| Monoisotopic Mass | 284.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number