| CAS Number | 756520-86-2 |
| Catalog Number | AG01FPUY(AGN-PC-3H5P5F) |
| Chemical Name | 1-Pyrrolidineethanesulfonamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 2-pyrrolidin-1-yl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C18H29BN2O4S/c1-17(2)18(3,4)25-19(24-17)15-7-9-16(10-8-15)20-26(22,23)14-13-21-11-5-6-12-21/h7-10,20H,5-6,11-14H2,1-4H3 |
| InChI Key | YUUZXPWJQZAPHH-UHFFFAOYSA-N |
| MDL Number | MFCD32206543 |
| Molecular Formula | C18H29BN2O4S |
| Molecular Weight | 380.3099 |
| SMILES | N1(CCCC1)CCS(=O)(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | SCHEMBL488897,
AS-74353,
2-(pyrrolidin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
756520-86-2,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.194109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.3g/mol |
| Monoisotopic Mass | 380.194109g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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