C214H232Cl3F12N21O33S10 — CID 159378681
4-(benzenesulfonyl)-N-[3,3-bis(4-fluorophenyl)propyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;3-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;4-(benzenesulfonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 159378681) has the molecular formula C214H232Cl3F12N21O33S10 and a molecular weight of 4281.33 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[3,3-bis(4-fluorophenyl)propyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;3-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;4-(benzenesulfonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide.
| Compound Name | 4-(benzenesulfonyl)-N-[3,3-bis(4-fluorophenyl)propyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;3-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;4-(benzenesulfonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159378681 |
| Molecular Formula | C214H232Cl3F12N21O33S10 |
| Molecular Weight | 4281.33 g/mol |
| Exact Mass | 4276.32 |
| IUPAC Name | 4-(benzenesulfonyl)-N-[3,3-bis(4-fluorophenyl)propyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-1-carboxamide;4-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;3-(benzenesulfonyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;4-(benzenesulfonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
| SMILES | COc1ccc(CCNC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1.C[C@H](CNC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCCc1ccc(-c2ccccc2)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCc1ccc(F)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(S(=O)(=O)c2ccccc2)C1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1.O=C(NCc1cccc2ccccc12)N1CCC(S(=O)(=O)c2ccccc2)CC1 |
| InChI | InChI=1S/C27H28F2N2O3S.C26H28N2O3S.C23H24N2O3S.C21H26N2O4S.C21H26N2O3S.C20H21F3N2O4S.C19H20Cl2N2O3S.C19H20ClFN2O3S.C19H20F3N3O3S.C19H19F3N2O4S/c28-22-10-6-20(7-11-22)26(21-8-12-23(29)13-9-21)14-17-30-27(32)31-18-15-25(16-19-31)35(33,34)24-4-2-1-3-5-24;29-26(27-18-15-21-11-13-23(14-12-21)22-7-3-1-4-8-22)28-19-16-25(17-20-28)32(30,31)24-9-5-2-6-10-24;26-23(24-17-19-9-6-8-18-7-4-5-12-22(18)19)25-15-13-21(14-16-25)29(27,28)20-10-2-1-3-11-20;1-27-18-9-7-17(8-10-18)11-14-22-21(24)23-15-12-20(13-16-23)28(25,26)19-5-3-2-4-6-19;1-17(18-8-4-2-5-9-18)16-22-21(24)23-14-12-20(13-15-23)27(25,26)19-10-6-3-7-11-19;21-20(22,23)29-16-6-4-5-15(13-16)14-24-19(26)25-11-9-18(10-12-25)30(27,28)17-7-2-1-3-8-17;20-15-7-6-14(18(21)12-15)13-22-19(24)23-10-8-17(9-11-23)27(25,26)16-4-2-1-3-5-16;20-18-12-15(21)7-6-14(18)13-22-19(24)23-10-8-17(9-11-23)27(25,26)16-4-2-1-3-5-16;20-19(21,22)17-7-6-14(12-23-17)13-24-18(26)25-10-8-16(9-11-25)29(27,28)15-4-2-1-3-5-15;20-19(21,22)28-15-6-4-5-14(11-15)12-23-18(25)24-10-9-17(13-24)29(26,27)16-7-2-1-3-8-16/h1-13,25-26H,14-19H2,(H,30,32);1-14,25H,15-20H2,(H,27,29);1-12,21H,13-17H2,(H,24,26);2-10,20H,11-16H2,1H3,(H,22,24);2-11,17,20H,12-16H2,1H3,(H,22,24);1-8,13,18H,9-12,14H2,(H,24,26);2*1-7,12,17H,8-11,13H2,(H,22,24);1-7,12,16H,8-11,13H2,(H,24,26);1-8,11,17H,9-10,12-13H2,(H,23,25)/t;;;;17-;;;;;/m....1...../s1 |
| InChIKey | LKQDQVTTXGKGSA-ZUXJTNMCSA-N |
| XLogP | 38.08 |
| TPSA | 705.38 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 293 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4281.33 |
| LogP ≤ 5 | 38.08 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |