C117H97Cl6FN14O26S9 — CID 158129895
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide (PubChem CID 158129895) has the molecular formula C117H97Cl6FN14O26S9 and a molecular weight of 2635.45 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide.
| Compound Name | 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide |
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| PubChem CID | 158129895 |
| Molecular Formula | C117H97Cl6FN14O26S9 |
| Molecular Weight | 2635.45 g/mol |
| Exact Mass | 2630.23 |
| IUPAC Name | 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide |
| SMILES | CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2Cl)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(Cl)c2)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(C3=CC=CCC3=O)c3cc(Cl)ccc3n2Cc2cccc(NS(C)(=O)=O)c2)c1.Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O |
| InChI | InChI=1S/C31H28ClN3O8S3.C29H23Cl2N3O6S2.C29H24ClFN4O6S2.C28H22Cl2N4O6S2/c1-44(38,39)19-21-8-6-10-24(16-21)46(42,43)34-31(37)30-29(25-11-3-4-12-28(25)36)26-17-22(32)13-14-27(26)35(30)18-20-7-5-9-23(15-20)33-45(2,40)41;1-41(37,38)17-18-6-4-8-21(14-18)42(39,40)33-29(36)27-26(22-9-5-13-32-28(22)35)23-15-20(30)11-12-25(23)34(27)16-19-7-2-3-10-24(19)31;1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31;1-41(37,38)16-18-4-2-5-20(12-18)42(39,40)33-28(36)26-25(21-6-3-10-32-27(21)35)22-14-19(29)7-8-23(22)34(26)15-17-9-11-31-24(30)13-17/h3-11,13-17,33H,12,18-19H2,1-2H3,(H,34,37);2-15H,16-17H2,1H3,(H,32,35)(H,33,36);3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,36) |
| InChIKey | FSQJASUWFRZUIH-UHFFFAOYSA-N |
| XLogP | 18.35 |
| TPSA | 595.98 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2635.45 |
| LogP ≤ 5 | 18.35 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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