| CAS Number | 298690-60-5 |
| Catalog Number | AG0037P4(AGN-PC-0O8P7I) |
| Chemical Name | Pyrrolidine, 2-(4-fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-, (2S)- |
| IUPAC Name | (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine |
| InChI | InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1 |
| InChI Key | DAEHFYNGSSBGSS-KRWDZBQOSA-N |
| MDL Number | MFCD20270617 |
| Molecular Formula | C17H18FNO2S |
| Molecular Weight | 319.3937 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(cc1)F |
| Synonyms | Ro 67-7476,
298690-60-5,
Pyrrolidine, 2-(4-fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-, (2S)-,
(S)-2-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidine,
DAEHFYNGSSBGSS-KRWDZBQOSA-N,
SCHEMBL3731910,
CTK0J1030,
DTXSID80652763,
ZINC25372525,
AKOS024458107,
CS-5751,
NCGC00370915-01,
Ro-67-7476,
HY-100403,
(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine,
(2S)-2-(4-Fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-pyrrolidine,
Ro67-7476,
B5560,
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| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.394g/mol |
| Monoisotopic Mass | 319.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number