C139H147F2N21O34S7 — CID 163950999
3-cyclopentyloxy-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;3-cyclopentyloxy-N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(2-cyclopropylethyl)-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(cyclopropylmethoxy)-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide (PubChem CID 163950999) has the molecular formula C139H147F2N21O34S7 and a molecular weight of 2918.28 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;3-cyclopentyloxy-N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(2-cyclopropylethyl)-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(cyclopropylmethoxy)-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide.
| Compound Name | 3-cyclopentyloxy-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;3-cyclopentyloxy-N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(2-cyclopropylethyl)-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(cyclopropylmethoxy)-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide |
|---|---|
| PubChem CID | 163950999 |
| Molecular Formula | C139H147F2N21O34S7 |
| Molecular Weight | 2918.28 g/mol |
| Exact Mass | 2915.84 |
| IUPAC Name | 3-cyclopentyloxy-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;3-cyclopentyloxy-N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(2-cyclopropylethyl)-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(cyclopropylmethoxy)-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide |
| SMILES | CC(F)COc1cccc(S(=O)(=O)NCc2cccc(N3CC(=O)NC3=O)c2)c1.CC(F)COc1cccc(S(=O)(=O)Nc2ccc(N3CC(=O)NC3=O)cc2)c1.O=C1CN(c2ccc(CNS(=O)(=O)c3cccc(CCC4CC4)c3)cc2)C(=O)N1.O=C1CN(c2ccc(CNS(=O)(=O)c3cccc(OC4CCCC4)c3)cc2)C(=O)N1.O=C1CN(c2ccc(NS(=O)(=O)c3cccc(OC4CCCC4)c3)cc2)C(=O)N1.O=C1CN(c2ccc(NS(=O)(=O)c3cccc(OCC4CC4)c3)cc2)C(=O)N1.O=C1CN(c2cccc(CNS(=O)(=O)c3cccc(OC4CCCC4)c3)c2)C(=O)N1 |
| InChI | InChI=1S/2C21H23N3O5S.C21H23N3O4S.C20H21N3O5S.C19H20FN3O5S.C19H19N3O5S.C18H18FN3O5S/c25-20-14-24(21(26)23-20)16-6-3-5-15(11-16)13-22-30(27,28)19-10-4-9-18(12-19)29-17-7-1-2-8-17;25-20-14-24(21(26)23-20)16-10-8-15(9-11-16)13-22-30(27,28)19-7-3-6-18(12-19)29-17-4-1-2-5-17;25-20-14-24(21(26)23-20)18-10-8-17(9-11-18)13-22-29(27,28)19-3-1-2-16(12-19)7-6-15-4-5-15;24-19-13-23(20(25)21-19)15-10-8-14(9-11-15)22-29(26,27)18-7-3-6-17(12-18)28-16-4-1-2-5-16;1-13(20)12-28-16-6-3-7-17(9-16)29(26,27)21-10-14-4-2-5-15(8-14)23-11-18(24)22-19(23)25;23-18-11-22(19(24)20-18)15-8-6-14(7-9-15)21-28(25,26)17-3-1-2-16(10-17)27-12-13-4-5-13;1-12(19)11-27-15-3-2-4-16(9-15)28(25,26)21-13-5-7-14(8-6-13)22-10-17(23)20-18(22)24/h3-6,9-12,17,22H,1-2,7-8,13-14H2,(H,23,25,26);3,6-12,17,22H,1-2,4-5,13-14H2,(H,23,25,26);1-3,8-12,15,22H,4-7,13-14H2,(H,23,25,26);3,6-12,16,22H,1-2,4-5,13H2,(H,21,24,25);2-9,13,21H,10-12H2,1H3,(H,22,24,25);1-3,6-10,13,21H,4-5,11-12H2,(H,20,23,24);2-9,12,21H,10-11H2,1H3,(H,20,23,24) |
| InChIKey | RZHJHWNEEMNETH-UHFFFAOYSA-N |
| XLogP | 17.09 |
| TPSA | 724.44 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2918.28 |
| LogP ≤ 5 | 17.09 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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