N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)

C247H328F27I2N21O27S18 — CID 159866972

IUPACN-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCCC2)cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.CN(C)CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C([O-])C1CCNCC1.O=S(=O)(CCC1CCCCC1)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C20H26I.2C18H23OS.3C18H15S.C16H26N3O2S.C14H21S.C13H16NS.C12H15F9NO4S2.2C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.C8H10N2O3S.C7H8F9N2O4S2.C6H11NO2/c2*1-5-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(3,4)6-2;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-17-10-6-7-15-22(20,21)19-13-11-18(12-14-19)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-18(2)3-23(19,20)17-24(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14;8-6(9)5-1-3-7-4-2-5/h2*8-15H,5-7H2,1-4H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;2-3,6-7,10H,4-5,8-9H2,1H3;8H,1-7H2;2*3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;2-5H,9H2,1H3,(H,10,11);3H2,1-2H3;5,7H,1-4H2,(H,8,9)/q7*+1;-1;2*+1;5*-1;;-1;/p-2
InChIKeyNRVUJODZDDTLNV-UHFFFAOYSA-L
MW5367.42 g/mol
LogP47.72
Rot. Bonds85

About N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)

N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) (PubChem CID 159866972) has the molecular formula C247H328F27I2N21O27S18 and a molecular weight of 5367.42 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium).

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)
PubChem CID159866972
Molecular FormulaC247H328F27I2N21O27S18
Molecular Weight5367.42 g/mol
Exact Mass5362.76
IUPAC NameN-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCCC2)cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.CN(C)CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C([O-])C1CCNCC1.O=S(=O)(CCC1CCCCC1)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C20H26I.2C18H23OS.3C18H15S.C16H26N3O2S.C14H21S.C13H16NS.C12H15F9NO4S2.2C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.C8H10N2O3S.C7H8F9N2O4S2.C6H11NO2/c2*1-5-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(3,4)6-2;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-17-10-6-7-15-22(20,21)19-13-11-18(12-14-19)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-18(2)3-23(19,20)17-24(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14;8-6(9)5-1-3-7-4-2-5/h2*8-15H,5-7H2,1-4H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;2-3,6-7,10H,4-5,8-9H2,1H3;8H,1-7H2;2*3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;2-5H,9H2,1H3,(H,10,11);3H2,1-2H3;5,7H,1-4H2,(H,8,9)/q7*+1;-1;2*+1;5*-1;;-1;/p-2
InChIKeyNRVUJODZDDTLNV-UHFFFAOYSA-L
XLogP47.72
TPSA643.63 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds85
Heavy Atoms342
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005367.42
LogP ≤ 547.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)?
The IUPAC name of N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) (CID 159866972) is N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium).
What is the SMILES notation for N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)?
The canonical SMILES for N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) is CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCc1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.CN(C)CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C([O-])C1CCNCC1.O=S(=O)(CCC1CCCCC1)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)?
The InChIKey is NRVUJODZDDTLNV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H26I.2C18H23OS.3C18H15S.C16H26N3O2S.C14H21S.C13H16NS.C12H15F9NO4S2.2C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.C8H10N2O3S.C7H8F9N2O4S2.C6H11NO2/c2*1-5-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(3,4)6-2;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-17-10-6-7-15-22(20,21)19-13-11-18(12-14-19)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-18(2)3-23(19,20)17-24(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14;8-6(9)5-1-3-7-4-2-5/h2*8-15H,5-7H2,1-4H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;2-3,6-7,10H,4-5,8-9H2,1H3;8H,1-7H2;2*3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;2-5H,9H2,1H3,(H,10,11);3H2,1-2H3;5,7H,1-4H2,(H,8,9)/q7*+1;-1;2*+1;5*-1;;-1;/p-2.
What are the key properties of N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium)?
N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) has a molecular weight of 5367.42 g/mol, XLogP of 47.72, 85 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonylethanimidate;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;2-cyclohexylethylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;(dimethylamino)methylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[4-(4-phenylpiperazin-1-yl)sulfonylbutyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis([4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium);1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;tris(triphenylsulfanium) is sourced from PubChem (CID 159866972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).