[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate

C218H311F30N19O47S26 — CID 158598575

IUPAC[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc(C(C)C)c1N.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.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.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.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H31N2O6S2.C18H25N2O4S2.C18H23OS.C16H18F9N2O7S3.2C16H25OS.C15H21O2S.2C14H23N2O4S2.2C13H16NS.2C10H19OS.2C9H11F9N3O6S3.C8H6F3NO3S/c1-5-6-7-8-9-10-15-28(23,24)21-29(25,26)17-13-11-16(12-14-17)20-18(22)27-19(2,3)4;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-7(2)10-5-9(6-11(8(3)4)12(10)26)34-37(32,33)15(21,22)13(17,18)14(19,20)35(28,29)27-36(30,31)16(23,24)25;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-10(2,3)9(11)8-12-6-4-5-7-12;2*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;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h11-14H,5-10,15H2,1-4H3,(H,20,22);8-13H,2-7,14,19H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;5-8H,26H2,1-4H3;2*7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;2*8-11H,2-7,12,15H2,1H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*4-8H2,1-3H3;2*2-5H2,1H3;1-5H,(H,12,13)/q2*-1;+1;-1;3*+1;2*-1;4*+1;2*-1;/p-1
InChIKeyHVILFHVNQBKMPC-UHFFFAOYSA-M
MW5353.65 g/mol
LogP48.08
Rot. Bonds100

About [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate

[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate (PubChem CID 158598575) has the molecular formula C218H311F30N19O47S26 and a molecular weight of 5353.65 g/mol. Its IUPAC name is [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate.

Molecular Properties

Compound Name[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate
PubChem CID158598575
Molecular FormulaC218H311F30N19O47S26
Molecular Weight5353.65 g/mol
Exact Mass5348.48
IUPAC Name[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc(C(C)C)c1N.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.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.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.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H31N2O6S2.C18H25N2O4S2.C18H23OS.C16H18F9N2O7S3.2C16H25OS.C15H21O2S.2C14H23N2O4S2.2C13H16NS.2C10H19OS.2C9H11F9N3O6S3.C8H6F3NO3S/c1-5-6-7-8-9-10-15-28(23,24)21-29(25,26)17-13-11-16(12-14-17)20-18(22)27-19(2,3)4;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-7(2)10-5-9(6-11(8(3)4)12(10)26)34-37(32,33)15(21,22)13(17,18)14(19,20)35(28,29)27-36(30,31)16(23,24)25;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-10(2,3)9(11)8-12-6-4-5-7-12;2*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;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h11-14H,5-10,15H2,1-4H3,(H,20,22);8-13H,2-7,14,19H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;5-8H,26H2,1-4H3;2*7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;2*8-11H,2-7,12,15H2,1H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*4-8H2,1-3H3;2*2-5H2,1H3;1-5H,(H,12,13)/q2*-1;+1;-1;3*+1;2*-1;4*+1;2*-1;/p-1
InChIKeyHVILFHVNQBKMPC-UHFFFAOYSA-M
XLogP48.08
TPSA1026.91 Ų
H-Bond Donors5
H-Bond Acceptors55
Rotatable Bonds100
Heavy Atoms340
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005353.65
LogP ≤ 548.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1055

Analyze [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate?
The IUPAC name of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate (CID 158598575) is [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate.
What is the SMILES notation for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate?
The canonical SMILES for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate is CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc(C(C)C)c1N.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.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.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.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1ccccc1)C(F)(F)F.
What is the InChIKey of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate?
The InChIKey is HVILFHVNQBKMPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31N2O6S2.C18H25N2O4S2.C18H23OS.C16H18F9N2O7S3.2C16H25OS.C15H21O2S.2C14H23N2O4S2.2C13H16NS.2C10H19OS.2C9H11F9N3O6S3.C8H6F3NO3S/c1-5-6-7-8-9-10-15-28(23,24)21-29(25,26)17-13-11-16(12-14-17)20-18(22)27-19(2,3)4;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-7(2)10-5-9(6-11(8(3)4)12(10)26)34-37(32,33)15(21,22)13(17,18)14(19,20)35(28,29)27-36(30,31)16(23,24)25;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-10(2,3)9(11)8-12-6-4-5-7-12;2*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;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h11-14H,5-10,15H2,1-4H3,(H,20,22);8-13H,2-7,14,19H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;5-8H,26H2,1-4H3;2*7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;2*8-11H,2-7,12,15H2,1H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*4-8H2,1-3H3;2*2-5H2,1H3;1-5H,(H,12,13)/q2*-1;+1;-1;3*+1;2*-1;4*+1;2*-1;/p-1.
What are the key properties of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate?
[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate has a molecular weight of 5353.65 g/mol, XLogP of 48.08, 100 rotatable bonds, 5 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)benzenecarboximidate is sourced from PubChem (CID 158598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).