About N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 159823048) has the molecular formula C124H104Cl11FN22O22S6
and a molecular weight of 2855.71 g/mol. Its IUPAC name is N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 159823048) is N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2cccnc2)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCC[C@H]2C)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cc(F)cc3c2OCC(=O)N3)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc3c2OCCN3C(=O)CN)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(C)cnc3[nH]ccc23)cc1C.
What is the InChIKey of N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is NMMGNNMIICYBBE-WPPQVGKRSA-N. The full InChI is InChI=1S/C23H20Cl2N4O5S.C22H19ClN4O3S.C21H14Cl2FN3O5S.C20H14Cl2N4O3S.C19H16Cl2N4O3S.C19H21Cl2N3O3S/c1-13-9-15(5-6-17(13)25)35(32,33)28-18-10-14(24)12-27-21(18)22(31)16-3-2-4-19-23(16)34-8-7-29(19)20(30)11-26;1-12-4-5-16(8-13(12)2)31(29,30)27-18-9-15(23)11-25-20(18)21(28)19-14(3)10-26-22-17(19)6-7-24-22;1-10-4-13(2-3-15(10)23)33(30,31)27-16-5-11(22)8-25-19(16)20(29)14-6-12(24)7-17-21(14)32-9-18(28)26-17;1-11-8-13(2-3-16(11)22)30(28,29)26-17-9-12(21)10-25-18(17)19(27)14-4-6-23-20-15(14)5-7-24-20;1-12-8-15(5-6-16(12)21)29(27,28)24-17-9-13(20)10-23-18(17)19(26)25(2)14-4-3-7-22-11-14;1-12-9-15(6-7-16(12)21)28(26,27)23-17-10-14(20)11-22-18(17)19(25)24-8-4-3-5-13(24)2/h2-6,9-10,12,28H,7-8,11,26H2,1H3;4-11,27H,1-3H3,(H,24,26);2-8,27H,9H2,1H3,(H,26,28);2-10,26H,1H3,(H,23,24);3-11,24H,1-2H3;6-7,9-11,13,23H,3-5,8H2,1-2H3/t;;;;;13-/m.....1/s1.
What are the key properties of N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 2855.71 g/mol, XLogP of 25.47, 30 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide;4-chloro-N-[5-chloro-2-[(2R)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 159823048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).