C110H118ClF3N8O17S2 — CID 157474830
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;4-methylbenzenesulfonyl chloride (PubChem CID 157474830) has the molecular formula C110H118ClF3N8O17S2 and a molecular weight of 1980.77 g/mol. Its IUPAC name is (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;4-methylbenzenesulfonyl chloride.
| Compound Name | (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;4-methylbenzenesulfonyl chloride |
|---|---|
| PubChem CID | 157474830 |
| Molecular Formula | C110H118ClF3N8O17S2 |
| Molecular Weight | 1980.77 g/mol |
| Exact Mass | 1978.77 |
| IUPAC Name | (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;4-methylbenzenesulfonyl chloride |
| SMILES | C1=C[C@@H](n2c3ccccc3c3ccccc32)COC1.CC(C)(C)OC(=O)OC1C=CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.O=S(=O)(N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2ccccc21.c1ccc2c(c1)[nH]c1ccccc12 |
| InChI | InChI=1S/C24H21F3N2O5S.C17H18N2O2.C17H17NO3.C17H15NO.C12H9N.C10H16O4.C7H7ClO2S.C6H15N/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,20H,9-10,18H2;1-8,15-17,19-20H,9-10H2;1-10,13H,11-12H2;1-8,13H;4-5,8H,6-7H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t19-,22+,23+;13-,16+,17+;15-,16-,17+;13-;;;;/m1101..../s1 |
| InChIKey | BVLVPLNNMMGJSJ-ZXUILCRNSA-N |
| XLogP | 20.52 |
| TPSA | 316.91 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1980.77 |
| LogP ≤ 5 | 20.52 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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