C95H139N43O12S6 — CID 158831909
3-(4-aminopiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3,9-diazaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperazin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-4-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 158831909) has the molecular formula C95H139N43O12S6 and a molecular weight of 2267.85 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3,9-diazaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperazin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-4-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
| Compound Name | 3-(4-aminopiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3,9-diazaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperazin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-4-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide |
|---|---|
| PubChem CID | 158831909 |
| Molecular Formula | C95H139N43O12S6 |
| Molecular Weight | 2267.85 g/mol |
| Exact Mass | 2265.99 |
| IUPAC Name | 3-(4-aminopiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3,9-diazaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperazin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-4-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide |
| SMILES | Cc1ccc(N2CC3(CCNCC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(C3CCNCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N3CCNCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CC2)CNC3)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCNCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |
| InChI | InChI=1S/C18H27N7O2S.C17H26N8O2S.C17H25N7O2S.2C15H21N7O2S.C13H19N7O2S/c1-12-2-3-15(16(17(12)28(19,26)27)18-21-23-24-22-18)25-10-6-14(7-11-25)13-4-8-20-9-5-13;1-12-2-3-14(15(16(12)28(18,26)27)17-20-22-23-21-17)25-8-4-13(5-9-25)24-10-6-19-7-11-24;1-12-2-3-13(14(15(12)27(18,25)26)16-20-22-23-21-16)24-10-6-17(7-11-24)4-8-19-9-5-17;1-10-2-3-11(22-6-4-15(5-7-22)8-17-9-15)12(13(10)25(16,23)24)14-18-20-21-19-14;1-10-2-3-11(22-8-15(9-22)4-6-17-7-5-15)12(13(10)25(16,23)24)14-18-20-21-19-14;1-8-2-3-10(20-6-4-9(14)5-7-20)11(12(8)23(15,21)22)13-16-18-19-17-13/h2-3,13-14,20H,4-11H2,1H3,(H2,19,26,27)(H,21,22,23,24);2-3,13,19H,4-11H2,1H3,(H2,18,26,27)(H,20,21,22,23);2-3,19H,4-11H2,1H3,(H2,18,25,26)(H,20,21,22,23);2*2-3,17H,4-9H2,1H3,(H2,16,23,24)(H,18,19,20,21);2-3,9H,4-7,14H2,1H3,(H2,15,21,22)(H,16,17,18,19) |
| InChIKey | IXDMKKBZXFPBRT-UHFFFAOYSA-N |
| XLogP | 1.30 |
| TPSA | 796.57 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2267.85 |
| LogP ≤ 5 | 1.30 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 43 |