N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide

C130H97F13N42O13S7 — CID 159145242

IUPACN-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.COc1ccc(C2CC2S(=O)(=O)Nc2ccc(F)c(Nc3ncccc3-c3ncnc4nc[nH]c34)c2F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CC1c1ccccc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccc(F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccsc1
InChIInChI=1S/C26H21F2N7O3S.C25H19F2N7O2S.C22H14F3N7O2S.C20H13F2N7O2S2.C19H17F2N7O2S.C18H13F2N7O2S/c1-38-15-6-4-14(5-7-15)17-11-20(17)39(36,37)35-19-9-8-18(27)23(21(19)28)34-25-16(3-2-10-29-25)22-24-26(32-12-30-22)33-13-31-24;26-17-8-9-18(34-37(35,36)19-11-16(19)14-5-2-1-3-6-14)20(27)22(17)33-24-15(7-4-10-28-24)21-23-25(31-12-29-21)32-13-30-23;23-12-3-5-13(6-4-12)35(33,34)32-16-8-7-15(24)19(17(16)25)31-21-14(2-1-9-26-21)18-20-22(29-10-27-18)30-11-28-20;21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18;1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h2-10,12-13,17,20,35H,11H2,1H3,(H,29,34)(H,30,31,32,33);1-10,12-13,16,19,34H,11H2,(H,28,33)(H,29,30,31,32);1-11,32H,(H,26,31)(H,27,28,29,30);1-10,29H,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);2-9,27H,1H2,(H,21,26)(H,22,23,24,25)
InChIKeyKIPGUANJMLYPPT-UHFFFAOYSA-N
MW2926.93 g/mol
LogP25.06
Rot. Bonds40

About N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide

N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide (PubChem CID 159145242) has the molecular formula C130H97F13N42O13S7 and a molecular weight of 2926.93 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide
PubChem CID159145242
Molecular FormulaC130H97F13N42O13S7
Molecular Weight2926.93 g/mol
Exact Mass2924.61
IUPAC NameN-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.COc1ccc(C2CC2S(=O)(=O)Nc2ccc(F)c(Nc3ncccc3-c3ncnc4nc[nH]c34)c2F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CC1c1ccccc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccc(F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccsc1
InChIInChI=1S/C26H21F2N7O3S.C25H19F2N7O2S.C22H14F3N7O2S.C20H13F2N7O2S2.C19H17F2N7O2S.C18H13F2N7O2S/c1-38-15-6-4-14(5-7-15)17-11-20(17)39(36,37)35-19-9-8-18(27)23(21(19)28)34-25-16(3-2-10-29-25)22-24-26(32-12-30-22)33-13-31-24;26-17-8-9-18(34-37(35,36)19-11-16(19)14-5-2-1-3-6-14)20(27)22(17)33-24-15(7-4-10-28-24)21-23-25(31-12-29-21)32-13-30-23;23-12-3-5-13(6-4-12)35(33,34)32-16-8-7-15(24)19(17(16)25)31-21-14(2-1-9-26-21)18-20-22(29-10-27-18)30-11-28-20;21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18;1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h2-10,12-13,17,20,35H,11H2,1H3,(H,29,34)(H,30,31,32,33);1-10,12-13,16,19,34H,11H2,(H,28,33)(H,29,30,31,32);1-11,32H,(H,26,31)(H,27,28,29,30);1-10,29H,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);2-9,27H,1H2,(H,21,26)(H,22,23,24,25)
InChIKeyKIPGUANJMLYPPT-UHFFFAOYSA-N
XLogP25.06
TPSA762.53 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002926.93
LogP ≤ 525.06
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,6-dimethoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyazetidin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(4-methylsulfonylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157528222
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[4-[5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide
CID 158765156
3-[2,6-bis(trifluoromethoxy)-3-pyridinyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyazetidin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(4-methylsulfonylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 160084664
N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;4-[6-fluoro-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]morpholine;3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160270023
4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,6-dimethoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyazetidin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 160865022
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 161875610
2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
CID 167591361
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
7-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157304688
N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157632458
CID 158430008
CID 158430008
7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 159160872

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide (CID 159145242) is N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide is C=CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.COc1ccc(C2CC2S(=O)(=O)Nc2ccc(F)c(Nc3ncccc3-c3ncnc4nc[nH]c34)c2F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CC1c1ccccc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccc(F)cc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccsc1.
What is the InChIKey of N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide?
The InChIKey is KIPGUANJMLYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N7O3S.C25H19F2N7O2S.C22H14F3N7O2S.C20H13F2N7O2S2.C19H17F2N7O2S.C18H13F2N7O2S/c1-38-15-6-4-14(5-7-15)17-11-20(17)39(36,37)35-19-9-8-18(27)23(21(19)28)34-25-16(3-2-10-29-25)22-24-26(32-12-30-22)33-13-31-24;26-17-8-9-18(34-37(35,36)19-11-16(19)14-5-2-1-3-6-14)20(27)22(17)33-24-15(7-4-10-28-24)21-23-25(31-12-29-21)32-13-30-23;23-12-3-5-13(6-4-12)35(33,34)32-16-8-7-15(24)19(17(16)25)31-21-14(2-1-9-26-21)18-20-22(29-10-27-18)30-11-28-20;21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18;1-2-8-31(29,30)28-13-6-5-12(20)16(14(13)21)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h2-10,12-13,17,20,35H,11H2,1H3,(H,29,34)(H,30,31,32,33);1-10,12-13,16,19,34H,11H2,(H,28,33)(H,29,30,31,32);1-11,32H,(H,26,31)(H,27,28,29,30);1-10,29H,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);2-9,27H,1H2,(H,21,26)(H,22,23,24,25).
What are the key properties of N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide?
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide has a molecular weight of 2926.93 g/mol, XLogP of 25.06, 40 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 159145242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).