[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide

C175H154F21N7O41S21 — CID 157077339

IUPAC[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCC(C)C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(C)cc([S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)c2cc(C)cc(C)c2)c1.O=C(OC12CC3CC(CC(COS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C1)C2)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC12CC3CC(CC(Oc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C31H30F3NO7S3.C29H28F3NO6S3.C24H24F3NO6S3.2C23H16F3NO5S3.C23H22F3NO5S3.C22H18F3NO7S3/c32-31(33,34)44(37,38)35-45(39,40)41-21-29-16-22-15-23(17-29)19-30(18-22,20-29)42-28(36)24-11-13-27(14-12-24)43(25-7-3-1-4-8-25)26-9-5-2-6-10-26;30-29(31,32)41(34,35)33-42(36,37)39-28-18-21-15-22(19-28)17-27(16-21,20-28)38-23-11-13-26(14-12-23)40(24-7-3-1-4-8-24)25-9-5-2-6-10-25;1-18(2)23(34-37(31,32)28-36(29,30)24(25,26)27)17-33-19-13-15-22(16-14-19)35(20-9-5-3-6-10-20)21-11-7-4-8-12-21;24-23(25,26)34(28,29)27-35(30,31)32-21-15-16-22(20-14-8-7-13-19(20)21)33(17-9-3-1-4-10-17)18-11-5-2-6-12-18;24-23(25,26)34(28,29)27-35(30,31)32-19-11-14-21(15-12-19)33(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;1-15-9-16(2)12-21(11-15)33(22-13-17(3)10-18(4)14-22)20-7-5-19(6-8-20)32-35(30,31)27-34(28,29)23(24,25)26;23-22(24,25)35(28,29)26-36(30,31)33-16-15-32-21(27)17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-21H2;1-14,21-22H,15-20H2;3-16,18,23H,17H2,1-2H3;2*1-16H;5-14H,1-4H3;1-14H,15-16H2
InChIKeyADCXKWXRQKOTDG-UHFFFAOYSA-N
MW4083.53 g/mol
LogP41.02
Rot. Bonds61

About [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide

[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 157077339) has the molecular formula C175H154F21N7O41S21 and a molecular weight of 4083.53 g/mol. Its IUPAC name is [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID157077339
Molecular FormulaC175H154F21N7O41S21
Molecular Weight4083.53 g/mol
Exact Mass4079.40
IUPAC Name[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCC(C)C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(C)cc([S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)c2cc(C)cc(C)c2)c1.O=C(OC12CC3CC(CC(COS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C1)C2)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC12CC3CC(CC(Oc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C31H30F3NO7S3.C29H28F3NO6S3.C24H24F3NO6S3.2C23H16F3NO5S3.C23H22F3NO5S3.C22H18F3NO7S3/c32-31(33,34)44(37,38)35-45(39,40)41-21-29-16-22-15-23(17-29)19-30(18-22,20-29)42-28(36)24-11-13-27(14-12-24)43(25-7-3-1-4-8-25)26-9-5-2-6-10-26;30-29(31,32)41(34,35)33-42(36,37)39-28-18-21-15-22(19-28)17-27(16-21,20-28)38-23-11-13-26(14-12-23)40(24-7-3-1-4-8-24)25-9-5-2-6-10-25;1-18(2)23(34-37(31,32)28-36(29,30)24(25,26)27)17-33-19-13-15-22(16-14-19)35(20-9-5-3-6-10-20)21-11-7-4-8-12-21;24-23(25,26)34(28,29)27-35(30,31)32-21-15-16-22(20-14-8-7-13-19(20)21)33(17-9-3-1-4-10-17)18-11-5-2-6-12-18;24-23(25,26)34(28,29)27-35(30,31)32-19-11-14-21(15-12-19)33(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;1-15-9-16(2)12-21(11-15)33(22-13-17(3)10-18(4)14-22)20-7-5-19(6-8-20)32-35(30,31)27-34(28,29)23(24,25)26;23-22(24,25)35(28,29)26-36(30,31)33-16-15-32-21(27)17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-21H2;1-14,21-22H,15-20H2;3-16,18,23H,17H2,1-2H3;2*1-16H;5-14H,1-4H3;1-14H,15-16H2
InChIKeyADCXKWXRQKOTDG-UHFFFAOYSA-N
XLogP41.02
TPSA712.33 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds61
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004083.53
LogP ≤ 541.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Related Compounds

2-[4-(4-Diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157154254
[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 157383521
CID 157447152
CID 157447152
3-[4-Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate
CID 157569534
2-[4-(4-Diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;6-(4-diphenylsulfoniophenoxy)-1,1,2,2,3,3-hexafluorohexane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate
CID 157628802
2-[4-Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoroethanesulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoroethanesulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoroethanesulfonate
CID 157649411
2-[4-Bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157653034
2-Acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tris(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
CID 157654482
2-[5-(4-Diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157708483
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;3-[4-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane;triphenylsulfanium
CID 157724985
Bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;triphenylsulfanium
CID 157780611
2-[4-Bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157859492

Frequently Asked Questions

What is the IUPAC name of [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 157077339) is [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide is CC(C)C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(C)cc([S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)c2cc(C)cc(C)c2)c1.O=C(OC12CC3CC(CC(COS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C1)C2)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC12CC3CC(CC(Oc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is ADCXKWXRQKOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3NO7S3.C29H28F3NO6S3.C24H24F3NO6S3.2C23H16F3NO5S3.C23H22F3NO5S3.C22H18F3NO7S3/c32-31(33,34)44(37,38)35-45(39,40)41-21-29-16-22-15-23(17-29)19-30(18-22,20-29)42-28(36)24-11-13-27(14-12-24)43(25-7-3-1-4-8-25)26-9-5-2-6-10-26;30-29(31,32)41(34,35)33-42(36,37)39-28-18-21-15-22(19-28)17-27(16-21,20-28)38-23-11-13-26(14-12-23)40(24-7-3-1-4-8-24)25-9-5-2-6-10-25;1-18(2)23(34-37(31,32)28-36(29,30)24(25,26)27)17-33-19-13-15-22(16-14-19)35(20-9-5-3-6-10-20)21-11-7-4-8-12-21;24-23(25,26)34(28,29)27-35(30,31)32-21-15-16-22(20-14-8-7-13-19(20)21)33(17-9-3-1-4-10-17)18-11-5-2-6-12-18;24-23(25,26)34(28,29)27-35(30,31)32-19-11-14-21(15-12-19)33(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;1-15-9-16(2)12-21(11-15)33(22-13-17(3)10-18(4)14-22)20-7-5-19(6-8-20)32-35(30,31)27-34(28,29)23(24,25)26;23-22(24,25)35(28,29)26-36(30,31)33-16-15-32-21(27)17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-21H2;1-14,21-22H,15-20H2;3-16,18,23H,17H2,1-2H3;2*1-16H;5-14H,1-4H3;1-14H,15-16H2.
What are the key properties of [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
[4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 4083.53 g/mol, XLogP of 41.02, 61 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 157077339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).