| CAS Number | 756520-93-1 |
| Catalog Number | AG01FQ1K(AGN-PC-3H5P86) |
| Chemical Name | Ethanesulfonamide, 2-(cyclopropylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 2-(cyclopropylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)13-5-7-15(8-6-13)20-25(21,22)12-11-19-14-9-10-14/h5-8,14,19-20H,9-12H2,1-4H3 |
| InChI Key | BYLXJPCURFPZOJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206575 |
| Molecular Formula | C17H27BN2O4S |
| Molecular Weight | 366.2833 |
| SMILES | O=S(CCNC1CC1)(NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)=O |
| Synonyms | SCHEMBL488832,
AS-74675,
2-(cyclopropylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
756520-93-1,
|
| Complexity | 548 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.178459g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.3g/mol |
| Monoisotopic Mass | 366.178459g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 85Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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