[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide

C198H230F41N13O76S39 — CID 157398915

IUPAC[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCC1C(=O)CC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CC1CCC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.Cc1cc([S+]2CCCC2)cc(C)c1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)Oc1ccc([S+](c2ccc3ccccc3c2)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2.O=C1CC[S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCOCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCOCC2)cc1
InChIInChI=1S/C40H42F5NO7S3.C18H24F3NO6S3.C17H22F3NO6S3.C14H18F3NO6S3.C13H16F3NO7S3.C13H16F3NO6S3.C13H16F3NO5S3.2C12H12F3NO6S3.2C12H14F3NO5S3.C11H12F3NO6S3.C11H12F3NO5S3/c41-39(42,43)35(52-36(47)37-18-24-11-25(19-37)13-26(12-24)20-37)40(44,45)55(48,49)46-56(50,51)53-32-6-9-33(10-7-32)54(34-8-5-30-3-1-2-4-31(30)17-34)38-21-27-14-28(22-38)16-29(15-27)23-38;19-18(20,21)30(23,24)22-31(25,26)28-16-6-4-14(5-7-16)27-15-8-10-17(11-9-15)29-12-2-1-3-13-29;18-17(19,20)29(22,23)21-30(24,25)27-15-5-3-13(4-6-15)26-14-7-9-16(10-8-14)28-11-1-2-12-28;15-14(16,17)26(19,20)18-27(21,22)24-9-8-23-12-4-6-13(7-5-12)25-10-2-1-3-11-25;14-13(15,16)26(18,19)17-27(20,21)24-6-5-23-11-1-3-12(4-2-11)25-9-7-22-8-10-25;14-13(15,16)25(18,19)17-26(20,21)23-8-7-22-11-3-5-12(6-4-11)24-9-1-2-10-24;1-9-7-11(23-5-3-4-6-23)8-10(2)12(9)22-25(20,21)17-24(18,19)13(14,15)16;1-8-11(17)6-7-23(8)10-4-2-9(3-5-10)22-25(20,21)16-24(18,19)12(13,14)15;13-12(14,15)24(18,19)16-25(20,21)22-10-1-3-11(4-2-10)23-7-5-9(17)6-8-23;1-9-3-2-8-22(9)11-6-4-10(5-7-11)21-24(19,20)16-23(17,18)12(13,14)15;13-12(14,15)23(17,18)16-24(19,20)21-10-4-6-11(7-5-10)22-8-2-1-3-9-22;12-11(13,14)23(16,17)15-24(18,19)21-9-1-3-10(4-2-9)22-7-5-20-6-8-22;12-11(13,14)22(16,17)15-23(18,19)20-9-3-5-10(6-4-9)21-7-1-2-8-21/h1-10,17,24-29,35H,11-16,18-23H2;8-11,14,16H,1-7,12-13H2;7-10,13,15H,1-6,11-12H2;4-7H,1-3,8-11H2;1-4H,5-10H2;3-6H,1-2,7-10H2;7-8H,3-6H2,1-2H3;2-5,8H,6-7H2,1H3;1-4H,5-8H2;4-7,9H,2-3,8H2,1H3;4-7H,1-3,8-9H2;1-4H,5-8H2;3-6H,1-2,7-8H2
InChIKeyBMXHMQHIHUPQPT-UHFFFAOYSA-N
MW6037.56 g/mol
LogP39.60
Rot. Bonds84

About [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide

[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 157398915) has the molecular formula C198H230F41N13O76S39 and a molecular weight of 6037.56 g/mol. Its IUPAC name is [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID157398915
Molecular FormulaC198H230F41N13O76S39
Molecular Weight6037.56 g/mol
Exact Mass6031.30
IUPAC Name[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCC1C(=O)CC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CC1CCC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.Cc1cc([S+]2CCCC2)cc(C)c1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)Oc1ccc([S+](c2ccc3ccccc3c2)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2.O=C1CC[S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCOCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCOCC2)cc1
InChIInChI=1S/C40H42F5NO7S3.C18H24F3NO6S3.C17H22F3NO6S3.C14H18F3NO6S3.C13H16F3NO7S3.C13H16F3NO6S3.C13H16F3NO5S3.2C12H12F3NO6S3.2C12H14F3NO5S3.C11H12F3NO6S3.C11H12F3NO5S3/c41-39(42,43)35(52-36(47)37-18-24-11-25(19-37)13-26(12-24)20-37)40(44,45)55(48,49)46-56(50,51)53-32-6-9-33(10-7-32)54(34-8-5-30-3-1-2-4-31(30)17-34)38-21-27-14-28(22-38)16-29(15-27)23-38;19-18(20,21)30(23,24)22-31(25,26)28-16-6-4-14(5-7-16)27-15-8-10-17(11-9-15)29-12-2-1-3-13-29;18-17(19,20)29(22,23)21-30(24,25)27-15-5-3-13(4-6-15)26-14-7-9-16(10-8-14)28-11-1-2-12-28;15-14(16,17)26(19,20)18-27(21,22)24-9-8-23-12-4-6-13(7-5-12)25-10-2-1-3-11-25;14-13(15,16)26(18,19)17-27(20,21)24-6-5-23-11-1-3-12(4-2-11)25-9-7-22-8-10-25;14-13(15,16)25(18,19)17-26(20,21)23-8-7-22-11-3-5-12(6-4-11)24-9-1-2-10-24;1-9-7-11(23-5-3-4-6-23)8-10(2)12(9)22-25(20,21)17-24(18,19)13(14,15)16;1-8-11(17)6-7-23(8)10-4-2-9(3-5-10)22-25(20,21)16-24(18,19)12(13,14)15;13-12(14,15)24(18,19)16-25(20,21)22-10-1-3-11(4-2-10)23-7-5-9(17)6-8-23;1-9-3-2-8-22(9)11-6-4-10(5-7-11)21-24(19,20)16-23(17,18)12(13,14)15;13-12(14,15)23(17,18)16-24(19,20)21-10-4-6-11(7-5-10)22-8-2-1-3-9-22;12-11(13,14)23(16,17)15-24(18,19)21-9-1-3-10(4-2-9)22-7-5-20-6-8-22;12-11(13,14)22(16,17)15-23(18,19)20-9-3-5-10(6-4-9)21-7-1-2-8-21/h1-10,17,24-29,35H,11-16,18-23H2;8-11,14,16H,1-7,12-13H2;7-10,13,15H,1-6,11-12H2;4-7H,1-3,8-11H2;1-4H,5-10H2;3-6H,1-2,7-10H2;7-8H,3-6H2,1-2H3;2-5,8H,6-7H2,1H3;1-4H,5-8H2;4-7,9H,2-3,8H2,1H3;4-7H,1-3,8-9H2;1-4H,5-8H2;3-6H,1-2,7-8H2
InChIKeyBMXHMQHIHUPQPT-UHFFFAOYSA-N
XLogP39.60
TPSA1315.98 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds84
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006037.56
LogP ≤ 539.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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What is the IUPAC name of [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 157398915) is [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide is CC1C(=O)CC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CC1CCC[S+]1c1ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.Cc1cc([S+]2CCCC2)cc(C)c1OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)Oc1ccc([S+](c2ccc3ccccc3c2)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2.O=C1CC[S+](c2ccc(OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC(Oc2ccc([S+]3CCCCC3)cc2)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCCOc1ccc([S+]2CCOCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCCCC2)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)Oc1ccc([S+]2CCOCC2)cc1.
What is the InChIKey of [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is BMXHMQHIHUPQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F5NO7S3.C18H24F3NO6S3.C17H22F3NO6S3.C14H18F3NO6S3.C13H16F3NO7S3.C13H16F3NO6S3.C13H16F3NO5S3.2C12H12F3NO6S3.2C12H14F3NO5S3.C11H12F3NO6S3.C11H12F3NO5S3/c41-39(42,43)35(52-36(47)37-18-24-11-25(19-37)13-26(12-24)20-37)40(44,45)55(48,49)46-56(50,51)53-32-6-9-33(10-7-32)54(34-8-5-30-3-1-2-4-31(30)17-34)38-21-27-14-28(22-38)16-29(15-27)23-38;19-18(20,21)30(23,24)22-31(25,26)28-16-6-4-14(5-7-16)27-15-8-10-17(11-9-15)29-12-2-1-3-13-29;18-17(19,20)29(22,23)21-30(24,25)27-15-5-3-13(4-6-15)26-14-7-9-16(10-8-14)28-11-1-2-12-28;15-14(16,17)26(19,20)18-27(21,22)24-9-8-23-12-4-6-13(7-5-12)25-10-2-1-3-11-25;14-13(15,16)26(18,19)17-27(20,21)24-6-5-23-11-1-3-12(4-2-11)25-9-7-22-8-10-25;14-13(15,16)25(18,19)17-26(20,21)23-8-7-22-11-3-5-12(6-4-11)24-9-1-2-10-24;1-9-7-11(23-5-3-4-6-23)8-10(2)12(9)22-25(20,21)17-24(18,19)13(14,15)16;1-8-11(17)6-7-23(8)10-4-2-9(3-5-10)22-25(20,21)16-24(18,19)12(13,14)15;13-12(14,15)24(18,19)16-25(20,21)22-10-1-3-11(4-2-10)23-7-5-9(17)6-8-23;1-9-3-2-8-22(9)11-6-4-10(5-7-11)21-24(19,20)16-23(17,18)12(13,14)15;13-12(14,15)23(17,18)16-24(19,20)21-10-4-6-11(7-5-10)22-8-2-1-3-9-22;12-11(13,14)23(16,17)15-24(18,19)21-9-1-3-10(4-2-9)22-7-5-20-6-8-22;12-11(13,14)22(16,17)15-23(18,19)20-9-3-5-10(6-4-9)21-7-1-2-8-21/h1-10,17,24-29,35H,11-16,18-23H2;8-11,14,16H,1-7,12-13H2;7-10,13,15H,1-6,11-12H2;4-7H,1-3,8-11H2;1-4H,5-10H2;3-6H,1-2,7-10H2;7-8H,3-6H2,1-2H3;2-5,8H,6-7H2,1H3;1-4H,5-8H2;4-7,9H,2-3,8H2,1H3;4-7H,1-3,8-9H2;1-4H,5-8H2;3-6H,1-2,7-8H2.
What are the key properties of [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide?
[2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 6037.56 g/mol, XLogP of 39.60, 84 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropyl]sulfonyl-[4-[1-adamantyl(naphthalen-2-yl)sulfonio]phenoxy]sulfonylazanide;[2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methyl-3-oxothiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(2-methylthiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(1,4-oxathian-4-ium-4-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(1,4-oxathian-4-ium-4-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-(4-oxothian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thian-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thian-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(thiolan-1-ium-1-yl)phenoxy]cyclohexyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-(thiolan-1-ium-1-yl)phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-(thiolan-1-ium-1-yl)phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 157398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).