N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C259H329Cl4F6N59O13S11 — CID 164966574

IUPACN-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCCC)cc1.[H]N=S(=O)(Cc1ccc(C[N+]#[C-])cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc2c(c1)OCCCO2)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C26H34N6OS.C25H32N6OS.C24H31ClFN5OS.C24H32FN5OS.C24H30N6OS.C24H31N5O3S.C23H29ClFN5OS.C23H30FN5OS.C23H28N6OS.C22H27ClFN5OS.C21H25ClFN5OS/c1-4-14-31-34(33,17-21-7-5-20(6-8-21)16-27-2)18-22-9-11-23(12-10-22)32(3)26-24-13-15-28-25(24)29-19-30-26;1-4-30-33(32,16-20-7-5-19(6-8-20)15-26-2)17-21-9-11-22(12-10-21)31(3)25-23-13-14-27-24(23)28-18-29-25;1-3-11-30-33(32,15-18-6-9-22(26)21(25)13-18)14-17-4-7-19(8-5-17)31(2)24-20-10-12-27-23(20)28-16-29-24;1-3-13-29-32(31,15-18-4-8-20(25)9-5-18)16-19-6-10-21(11-7-19)30(2)24-22-12-14-26-23(22)27-17-28-24;1-25-14-18-4-6-19(7-5-18)15-32(31,26-2)16-20-8-10-21(11-9-20)30(3)24-22-12-13-27-23(22)28-17-29-24;1-29(24-20-9-10-26-23(20)27-16-28-24)19-6-3-17(4-7-19)14-33(25,30)15-18-5-8-21-22(13-18)32-12-2-11-31-21;1-3-29-32(31,14-17-6-9-21(25)20(24)12-17)13-16-4-7-18(8-5-16)30(2)23-19-10-11-26-22(19)27-15-28-23;1-3-28-31(30,14-17-4-8-19(24)9-5-17)15-18-6-10-20(11-7-18)29(2)23-21-12-13-25-22(21)26-16-27-23;1-25-13-17-3-5-18(6-4-17)14-31(24,30)15-19-7-9-20(10-8-19)29(2)23-21-11-12-26-22(21)27-16-28-23;1-25-31(30,13-16-5-8-20(24)19(23)11-16)12-15-3-6-17(7-4-15)29(2)22-18-9-10-26-21(18)27-14-28-22;1-28(21-17-8-9-25-20(17)26-13-27-21)16-5-2-14(3-6-16)11-30(24,29)12-15-4-7-19(23)18(22)10-15/h5-8,13,15,19,22-23H,4,9-12,14,16-18H2,1,3H3,(H,28,29,30);5-8,13-14,18,21-22H,4,9-12,15-17H2,1,3H3,(H,27,28,29);6,9-10,12-13,16-17,19H,3-5,7-8,11,14-15H2,1-2H3,(H,27,28,29);4-5,8-9,12,14,17,19,21H,3,6-7,10-11,13,15-16H2,1-2H3,(H,26,27,28);4-7,12-13,17,20-21H,8-11,14-16H2,2-3H3,(H,27,28,29);5,8-10,13,16-17,19,25H,2-4,6-7,11-12,14-15H2,1H3,(H,26,27,28);6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,26,27,28);4-5,8-9,12-13,16,18,20H,3,6-7,10-11,14-15H2,1-2H3,(H,25,26,27);3-6,11-12,16,19-20,24H,7-10,13-15H2,2H3,(H,26,27,28);5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3,(H,26,27,28);4,7-10,13-14,16,24H,2-3,5-6,11-12H2,1H3,(H,25,26,27)
InChIKeyCOFBFKOFSDNJLH-UHFFFAOYSA-N
MW5085.42 g/mol
LogP55.40
Rot. Bonds79

About N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164966574) has the molecular formula C259H329Cl4F6N59O13S11 and a molecular weight of 5085.42 g/mol. Its IUPAC name is N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164966574
Molecular FormulaC259H329Cl4F6N59O13S11
Molecular Weight5085.42 g/mol
Exact Mass5079.25
IUPAC NameN-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCCC)cc1.[H]N=S(=O)(Cc1ccc(C[N+]#[C-])cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc2c(c1)OCCCO2)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C26H34N6OS.C25H32N6OS.C24H31ClFN5OS.C24H32FN5OS.C24H30N6OS.C24H31N5O3S.C23H29ClFN5OS.C23H30FN5OS.C23H28N6OS.C22H27ClFN5OS.C21H25ClFN5OS/c1-4-14-31-34(33,17-21-7-5-20(6-8-21)16-27-2)18-22-9-11-23(12-10-22)32(3)26-24-13-15-28-25(24)29-19-30-26;1-4-30-33(32,16-20-7-5-19(6-8-20)15-26-2)17-21-9-11-22(12-10-21)31(3)25-23-13-14-27-24(23)28-18-29-25;1-3-11-30-33(32,15-18-6-9-22(26)21(25)13-18)14-17-4-7-19(8-5-17)31(2)24-20-10-12-27-23(20)28-16-29-24;1-3-13-29-32(31,15-18-4-8-20(25)9-5-18)16-19-6-10-21(11-7-19)30(2)24-22-12-14-26-23(22)27-17-28-24;1-25-14-18-4-6-19(7-5-18)15-32(31,26-2)16-20-8-10-21(11-9-20)30(3)24-22-12-13-27-23(22)28-17-29-24;1-29(24-20-9-10-26-23(20)27-16-28-24)19-6-3-17(4-7-19)14-33(25,30)15-18-5-8-21-22(13-18)32-12-2-11-31-21;1-3-29-32(31,14-17-6-9-21(25)20(24)12-17)13-16-4-7-18(8-5-16)30(2)23-19-10-11-26-22(19)27-15-28-23;1-3-28-31(30,14-17-4-8-19(24)9-5-17)15-18-6-10-20(11-7-18)29(2)23-21-12-13-25-22(21)26-16-27-23;1-25-13-17-3-5-18(6-4-17)14-31(24,30)15-19-7-9-20(10-8-19)29(2)23-21-11-12-26-22(21)27-16-28-23;1-25-31(30,13-16-5-8-20(24)19(23)11-16)12-15-3-6-17(7-4-15)29(2)22-18-9-10-26-21(18)27-14-28-22;1-28(21-17-8-9-25-20(17)26-13-27-21)16-5-2-14(3-6-16)11-30(24,29)12-15-4-7-19(23)18(22)10-15/h5-8,13,15,19,22-23H,4,9-12,14,16-18H2,1,3H3,(H,28,29,30);5-8,13-14,18,21-22H,4,9-12,15-17H2,1,3H3,(H,27,28,29);6,9-10,12-13,16-17,19H,3-5,7-8,11,14-15H2,1-2H3,(H,27,28,29);4-5,8-9,12,14,17,19,21H,3,6-7,10-11,13,15-16H2,1-2H3,(H,26,27,28);4-7,12-13,17,20-21H,8-11,14-16H2,2-3H3,(H,27,28,29);5,8-10,13,16-17,19,25H,2-4,6-7,11-12,14-15H2,1H3,(H,26,27,28);6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,26,27,28);4-5,8-9,12-13,16,18,20H,3,6-7,10-11,14-15H2,1-2H3,(H,25,26,27);3-6,11-12,16,19-20,24H,7-10,13-15H2,2H3,(H,26,27,28);5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3,(H,26,27,28);4,7-10,13-14,16,24H,2-3,5-6,11-12H2,1H3,(H,25,26,27)
InChIKeyCOFBFKOFSDNJLH-UHFFFAOYSA-N
XLogP55.40
TPSA887.01 Ų
H-Bond Donors14
H-Bond Acceptors57
Rotatable Bonds79
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005085.42
LogP ≤ 555.40
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1057

Analyze N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164966574) is N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CCN=S(=O)(Cc1ccc(F)cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.CN=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCC)cc1.[C-]#[N+]Cc1ccc(CS(=O)(CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)=NCCC)cc1.[H]N=S(=O)(Cc1ccc(C[N+]#[C-])cc1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc(F)c(Cl)c1)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.[H]N=S(=O)(Cc1ccc2c(c1)OCCCO2)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is COFBFKOFSDNJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6OS.C25H32N6OS.C24H31ClFN5OS.C24H32FN5OS.C24H30N6OS.C24H31N5O3S.C23H29ClFN5OS.C23H30FN5OS.C23H28N6OS.C22H27ClFN5OS.C21H25ClFN5OS/c1-4-14-31-34(33,17-21-7-5-20(6-8-21)16-27-2)18-22-9-11-23(12-10-22)32(3)26-24-13-15-28-25(24)29-19-30-26;1-4-30-33(32,16-20-7-5-19(6-8-20)15-26-2)17-21-9-11-22(12-10-21)31(3)25-23-13-14-27-24(23)28-18-29-25;1-3-11-30-33(32,15-18-6-9-22(26)21(25)13-18)14-17-4-7-19(8-5-17)31(2)24-20-10-12-27-23(20)28-16-29-24;1-3-13-29-32(31,15-18-4-8-20(25)9-5-18)16-19-6-10-21(11-7-19)30(2)24-22-12-14-26-23(22)27-17-28-24;1-25-14-18-4-6-19(7-5-18)15-32(31,26-2)16-20-8-10-21(11-9-20)30(3)24-22-12-13-27-23(22)28-17-29-24;1-29(24-20-9-10-26-23(20)27-16-28-24)19-6-3-17(4-7-19)14-33(25,30)15-18-5-8-21-22(13-18)32-12-2-11-31-21;1-3-29-32(31,14-17-6-9-21(25)20(24)12-17)13-16-4-7-18(8-5-16)30(2)23-19-10-11-26-22(19)27-15-28-23;1-3-28-31(30,14-17-4-8-19(24)9-5-17)15-18-6-10-20(11-7-18)29(2)23-21-12-13-25-22(21)26-16-27-23;1-25-13-17-3-5-18(6-4-17)14-31(24,30)15-19-7-9-20(10-8-19)29(2)23-21-11-12-26-22(21)27-16-28-23;1-25-31(30,13-16-5-8-20(24)19(23)11-16)12-15-3-6-17(7-4-15)29(2)22-18-9-10-26-21(18)27-14-28-22;1-28(21-17-8-9-25-20(17)26-13-27-21)16-5-2-14(3-6-16)11-30(24,29)12-15-4-7-19(23)18(22)10-15/h5-8,13,15,19,22-23H,4,9-12,14,16-18H2,1,3H3,(H,28,29,30);5-8,13-14,18,21-22H,4,9-12,15-17H2,1,3H3,(H,27,28,29);6,9-10,12-13,16-17,19H,3-5,7-8,11,14-15H2,1-2H3,(H,27,28,29);4-5,8-9,12,14,17,19,21H,3,6-7,10-11,13,15-16H2,1-2H3,(H,26,27,28);4-7,12-13,17,20-21H,8-11,14-16H2,2-3H3,(H,27,28,29);5,8-10,13,16-17,19,25H,2-4,6-7,11-12,14-15H2,1H3,(H,26,27,28);6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,26,27,28);4-5,8-9,12-13,16,18,20H,3,6-7,10-11,14-15H2,1-2H3,(H,25,26,27);3-6,11-12,16,19-20,24H,7-10,13-15H2,2H3,(H,26,27,28);5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3,(H,26,27,28);4,7-10,13-14,16,24H,2-3,5-6,11-12H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 5085.42 g/mol, XLogP of 55.40, 79 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-ethylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(3-chloro-4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[(3-chloro-4-fluorophenyl)methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[(4-fluorophenyl)methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[N-ethyl-S-[[4-(isocyanomethyl)phenyl]methyl]sulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[(4-fluorophenyl)methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[S-[[4-(isocyanomethyl)phenyl]methyl]-N-propylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[4-[[[4-(isocyanomethyl)phenyl]methylsulfonimidoyl]methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164966574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).