C160H209Br2Cl3F10N24O38S12 — CID 167672851
N-(3-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;(3R)-N-(4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 167672851) has the molecular formula C160H209Br2Cl3F10N24O38S12 and a molecular weight of 3917.51 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;(3R)-N-(4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
| Compound Name | N-(3-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;(3R)-N-(4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide |
|---|---|
| PubChem CID | 167672851 |
| Molecular Formula | C160H209Br2Cl3F10N24O38S12 |
| Molecular Weight | 3917.51 g/mol |
| Exact Mass | 3910.91 |
| IUPAC Name | N-(3-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-bromophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;(3R)-N-(4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide;1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide |
| SMILES | COc1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1.COc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2F)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(Br)c2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(Cl)c2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1.CS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2Cl)C1.CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 |
| InChI | InChI=1S/2C14H17F3N2O3S.2C14H20N2O4S.2C13H17BrN2O3S.3C13H17ClN2O3S.C13H16F2N2O3S.2C13H17FN2O3S/c1-23(21,22)19-7-3-4-10(9-19)13(20)18-12-6-2-5-11(8-12)14(15,16)17;1-23(21,22)19-8-2-3-10(9-19)13(20)18-12-6-4-11(5-7-12)14(15,16)17;1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19;1-20-13-8-4-3-7-12(13)15-14(17)11-6-5-9-16(10-11)21(2,18)19;1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12;1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12;1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12;1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12;1-20(18,19)16-8-4-5-10(9-16)13(17)15-12-7-3-2-6-11(12)14;1-21(19,20)17-6-2-3-9(8-17)13(18)16-12-5-4-10(14)7-11(12)15;1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12;1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,20);4-7,10H,2-3,8-9H2,1H3,(H,18,20);3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17);2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17);4-7,10H,2-3,8-9H2,1H3,(H,15,17);2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17);4-7,10H,2-3,8-9H2,1H3,(H,15,17);2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17);4-5,7,9H,2-3,6,8H2,1H3,(H,16,18);2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17);4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t;;;;;;;10-;;;;/m.......1..../s1 |
| InChIKey | UJPDLFKNRPVPQK-ZHIXWBMUSA-N |
| XLogP | 21.66 |
| TPSA | 816.22 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 249 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3917.51 |
| LogP ≤ 5 | 21.66 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 38 |